 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer06_STD_wB97XD_augccpVDZ.in
 Output=30_ibuprofen_conformer06_STD_wB97XD_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/Gau-42096.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     42106.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=30_ibuprofen_conformer06_STD_wB97XD_augccpVDZ
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Sep  8 12:29:37 2021, MaxMem=  6442450944 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "30_ibuprofen_conformer06_STD_wB97XD_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.736226000000     -0.365262000000     -1.272205000000
  C                                                 1.580407000000     -0.843892000000     -0.268944000000
  C                                                -0.631287000000     -0.249652000000     -1.070495000000
  C                                                -1.202033000000     -0.613612000000      0.148225000000
  C                                                -0.367697000000     -1.095463000000      1.151784000000
  C                                                 1.000381000000     -1.213316000000      0.943659000000
  C                                                 3.068617000000     -0.934244000000     -0.480851000000
  C                                                 3.864505000000      0.334941000000     -0.092392000000
  C                                                 3.754611000000      0.654693000000      1.397822000000
  C                                                 3.475770000000      1.545740000000     -0.939652000000
  C                                                -2.702771000000     -0.516689000000      0.368988000000
  C                                                -3.138269000000      0.918833000000      0.145133000000
  O                                                -3.559047000000      1.373836000000     -0.886855000000
  O                                                -2.970828000000      1.672405000000      1.255783000000
  H                                                 1.156867000000     -0.080316000000     -2.228675000000
  H                                                -1.260188000000      0.132647000000     -1.864576000000
  H                                                -0.792008000000     -1.385962000000      2.105337000000
  H                                                 1.627267000000     -1.599939000000      1.737720000000
  H                                                 3.268482000000     -1.153685000000     -1.532795000000
  H                                                 3.462957000000     -1.774242000000      0.096737000000
  H                                                 4.913285000000      0.101574000000     -0.306459000000
  H                                                 4.394928000000      1.499871000000      1.657871000000
  H                                                 4.056957000000     -0.196129000000      2.012581000000
  H                                                 2.730553000000      0.917518000000      1.669696000000
  H                                                 2.441497000000      1.841134000000     -0.753494000000
  H                                                 3.577595000000      1.336297000000     -2.006833000000
  H                                                 4.113060000000      2.400281000000     -0.703913000000
  H                                                -2.898442000000     -0.751368000000      1.416045000000
  C                                                -3.487164000000     -1.472476000000     -0.531817000000
  H                                                -3.218631000000      2.580750000000      1.021627000000
  H                                                -4.556603000000     -1.415011000000     -0.324547000000
  H                                                -3.151396000000     -2.495431000000     -0.362197000000
  H                                                -3.334967000000     -1.225513000000     -1.581072000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.736226   -0.365262   -1.272205
      2          6           0        1.580407   -0.843892   -0.268944
      3          6           0       -0.631287   -0.249652   -1.070495
      4          6           0       -1.202033   -0.613612    0.148225
      5          6           0       -0.367697   -1.095463    1.151784
      6          6           0        1.000381   -1.213316    0.943659
      7          6           0        3.068617   -0.934244   -0.480851
      8          6           0        3.864505    0.334941   -0.092392
      9          6           0        3.754611    0.654693    1.397822
     10          6           0        3.475770    1.545740   -0.939652
     11          6           0       -2.702771   -0.516689    0.368988
     12          6           0       -3.138269    0.918833    0.145133
     13          8           0       -3.559047    1.373836   -0.886855
     14          8           0       -2.970828    1.672405    1.255783
     15          1           0        1.156867   -0.080316   -2.228675
     16          1           0       -1.260188    0.132647   -1.864576
     17          1           0       -0.792008   -1.385962    2.105337
     18          1           0        1.627267   -1.599939    1.737720
     19          1           0        3.268482   -1.153685   -1.532795
     20          1           0        3.462957   -1.774242    0.096737
     21          1           0        4.913285    0.101574   -0.306459
     22          1           0        4.394928    1.499871    1.657871
     23          1           0        4.056957   -0.196129    2.012581
     24          1           0        2.730553    0.917518    1.669696
     25          1           0        2.441497    1.841134   -0.753494
     26          1           0        3.577595    1.336297   -2.006833
     27          1           0        4.113060    2.400281   -0.703913
     28          1           0       -2.898442   -0.751368    1.416045
     29          6           0       -3.487164   -1.472476   -0.531817
     30          1           0       -3.218631    2.580750    1.021627
     31          1           0       -4.556603   -1.415011   -0.324547
     32          1           0       -3.151396   -2.495431   -0.362197
     33          1           0       -3.334967   -1.225513   -1.581072
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.395801   0.000000
     3  C    1.387135   2.426354   0.000000
     4  C    2.415812   2.822947   1.394093   0.000000
     5  C    2.761804   2.424225   2.392363   1.391196   0.000000
     6  C    2.387263   1.394027   2.765467   2.417227   1.388828
     7  C    2.527851   1.505934   3.808627   4.328625   3.807853
     8  C    3.415900   2.576416   4.637950   5.160180   4.637409
     9  C    4.156922   3.122664   5.113368   5.266727   4.485198
    10  C    3.356728   3.122914   4.484247   5.265750   5.110998
    11  C    3.813548   4.342768   2.536625   1.519982   2.529885
    12  C    4.320817   5.054163   3.021269   2.469293   3.570267
    13  O    4.649981   5.631529   3.352792   3.252208   4.520863
    14  O    4.927987   5.419436   3.818288   3.095350   3.801079
    15  H    1.083036   2.145456   2.137183   3.390939   3.844779
    16  H    2.141141   3.401272   1.082697   2.147476   3.376866
    17  H    3.845142   3.399912   3.376824   2.143579   1.083371
    18  H    3.373134   2.144878   3.848430   3.391795   2.139556
    19  H    2.664927   2.131405   4.029788   4.806559   4.520194
    20  H    3.360698   2.131494   4.522128   4.807478   4.030853
    21  H    4.312589   3.464591   5.607976   6.173762   5.607864
    22  H    5.044816   4.138523   5.980606   6.170236   5.447429
    23  H    4.673936   3.429031   5.611404   5.595274   4.596448
    24  H    3.778577   2.860721   4.491425   4.486030   3.730882
    25  H    2.836405   2.861054   3.730131   4.484884   4.488347
    26  H    3.392397   3.429613   4.594198   5.593859   5.608533
    27  H    4.401612   4.138621   5.446591   6.169271   5.978379
    28  H    4.537243   4.786213   3.402145   2.122298   2.567665
    29  C    4.428444   5.113169   3.153015   2.534152   3.564790
    30  H    5.438892   6.035272   4.368352   3.877299   4.653956
    31  H    5.478510   6.163778   4.162043   3.481220   4.452931
    32  H    4.525410   5.012608   3.449081   2.757134   3.464250
    33  H    4.172534   5.101786   2.919397   2.813236   4.036100
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.526798   0.000000
     8  C    3.416681   1.547633   0.000000
     9  C    3.358795   2.554353   1.528089   0.000000
    10  C    4.157740   2.554720   1.528070   2.517042   0.000000
    11  C    3.811676   5.848547   6.638317   6.642922   6.643833
    12  C    4.723571   6.507779   7.031088   7.010763   6.731663
    13  O    5.552704   7.029794   7.537878   7.695876   7.037115
    14  O    4.918873   6.803338   7.094234   6.803488   6.811359
    15  H    3.372222   2.727429   3.473823   4.521061   3.111744
    16  H    3.848113   4.668137   5.426236   6.005329   5.028083
    17  H    2.142886   4.668709   5.429055   5.033547   6.006727
    18  H    1.083050   2.728131   3.478262   3.118411   4.525548
    19  H    3.358670   1.093017   2.155461   3.477796   2.771585
    20  H    2.663869   1.093027   2.155380   2.770850   3.478009
    21  H    4.313067   2.122765   1.095548   2.133785   2.133776
    22  H    4.403911   3.501164   2.168371   1.091768   2.755736
    23  H    3.394101   2.781876   2.179446   1.092355   3.476718
    24  H    2.839204   2.858000   2.174902   1.091644   2.785446
    25  H    3.779789   2.858380   2.175000   2.785690   1.091619
    26  H    4.674180   2.782631   2.179476   3.476722   1.092296
    27  H    5.045924   3.501382   2.168264   2.755513   1.091765
    28  H    3.954411   6.263980   7.013765   6.800033   7.173325
    29  C    4.730989   6.578036   7.583330   7.790485   7.599895
    30  H    5.674599   7.358132   7.513688   7.244123   7.052153
    31  H    5.703429   7.641960   8.604144   8.736504   8.582739
    32  H    4.537216   6.414043   7.570117   7.791911   7.783563
    33  H    5.016937   6.503938   7.515556   7.916508   7.380881
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.516738   0.000000
    13  O    2.425785   1.203778   0.000000
    14  O    2.377055   1.352572   2.241884   0.000000
    15  H    4.672802   5.008139   5.114185   5.679027   0.000000
    16  H    2.737059   2.860805   2.789488   3.877342   2.453584
    17  H    2.724254   3.828762   4.922012   3.850014   4.928132
    18  H    4.668628   5.620576   6.529134   5.664184   4.273502
    19  H    6.299080   6.939541   7.308950   7.395400   2.468864
    20  H    6.298552   7.129599   7.757989   7.390288   3.687137
    21  H    7.670905   8.105515   8.586962   8.189466   4.223586
    22  H    7.490331   7.705520   8.352080   7.378740   5.299742
    23  H    6.964056   7.516767   8.299099   7.311219   5.139279
    24  H    5.767998   6.063610   6.804649   5.766015   4.320817
    25  H    5.769124   5.726426   6.020189   5.775719   2.741971
    26  H    6.965707   7.064564   7.224086   7.323898   2.813526
    27  H    7.491020   7.449654   7.742628   7.385911   4.149378
    28  H    1.090729   2.112417   3.202536   2.430144   5.493617
    29  C    1.529788   2.509651   2.869270   3.654093   5.136581
    30  H    3.207207   1.880603   2.283600   0.970220   6.065535
    31  H    2.173630   2.771119   3.014793   3.813694   6.168537
    32  H    2.156691   3.451776   3.925898   4.474519   5.279929
    33  H    2.169064   2.759836   2.699771   4.071642   4.680538
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.276164   0.000000
    18  H    4.931104   2.456384   0.000000
    19  H    4.719489   5.456880   3.686326   0.000000
    20  H    5.458120   4.721225   2.468393   1.754505   0.000000
    21  H    6.367139   6.370235   4.227497   2.405193   2.405141
    22  H    6.801270   5.952526   4.156338   4.300069   3.745067
    23  H    6.588814   4.993673   2.819508   3.756101   2.552202
    24  H    5.388239   4.231340   2.749447   3.851649   3.202528
    25  H    4.225625   5.389120   4.325517   3.203148   3.851911
    26  H    4.987299   6.588935   5.142659   2.553483   3.756807
    27  H    5.946520   6.803471   5.304950   3.745802   4.300037
    28  H    3.771980   2.305406   4.615798   6.847515   6.576796
    29  C    3.051571   3.771728   5.596825   6.836837   6.985007
    30  H    4.261323   4.774697   6.440006   7.909090   8.029010
    31  H    3.953895   4.480776   6.521303   7.922128   8.038649
    32  H    3.569398   3.589757   5.295959   6.662238   6.669363
    33  H    2.495933   4.481294   5.981500   6.604016   7.023384
                   21         22         23         24         25
    21  H    0.000000
    22  H    2.466277   0.000000
    23  H    2.489954   1.765350   0.000000
    24  H    3.055368   1.763354   1.765539   0.000000
    25  H    3.055429   3.122024   3.796225   2.609304   0.000000
    26  H    2.489956   3.758303   4.328257   3.796014   1.765344
    27  H    2.466249   2.543268   3.758169   3.121527   1.763300
    28  H    8.044726   7.636740   7.002979   5.876658   6.320041
    29  C    8.549618   8.703847   8.063299   7.015607   6.795452
    30  H    8.604544   7.716177   7.850301   6.211210   5.977887
    31  H    9.590575   9.620625   9.007844   7.906980   7.730451
    32  H    8.472699   8.774401   7.930114   7.097474   7.087973
    33  H    8.451003   8.813044   8.283388   7.207677   6.592173
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.765329   0.000000
    28  H    7.616659   7.974226   0.000000
    29  C    7.744398   8.531780   2.158879   0.000000
    30  H    7.543800   7.534172   3.370623   4.349016   0.000000
    31  H    8.750141   9.479632   2.493909   1.090854   4.423625
    32  H    7.916204   8.766817   2.503575   1.089930   5.261854
    33  H    7.384284   8.330000   3.065628   1.088619   4.612506
                   31         32         33
    31  H    0.000000
    32  H    1.772944   0.000000
    33  H    1.762714   1.769759   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 7.94D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.736226   -0.365262   -1.272205
      2          6           0        1.580407   -0.843892   -0.268944
      3          6           0       -0.631287   -0.249652   -1.070495
      4          6           0       -1.202033   -0.613612    0.148225
      5          6           0       -0.367697   -1.095463    1.151784
      6          6           0        1.000381   -1.213316    0.943659
      7          6           0        3.068617   -0.934244   -0.480851
      8          6           0        3.864505    0.334941   -0.092392
      9          6           0        3.754611    0.654693    1.397822
     10          6           0        3.475770    1.545740   -0.939652
     11          6           0       -2.702771   -0.516689    0.368988
     12          6           0       -3.138269    0.918833    0.145133
     13          8           0       -3.559047    1.373836   -0.886855
     14          8           0       -2.970828    1.672405    1.255783
     15          1           0        1.156867   -0.080316   -2.228675
     16          1           0       -1.260188    0.132647   -1.864576
     17          1           0       -0.792008   -1.385962    2.105337
     18          1           0        1.627267   -1.599939    1.737720
     19          1           0        3.268482   -1.153685   -1.532795
     20          1           0        3.462957   -1.774242    0.096737
     21          1           0        4.913285    0.101574   -0.306459
     22          1           0        4.394928    1.499871    1.657871
     23          1           0        4.056957   -0.196129    2.012581
     24          1           0        2.730553    0.917518    1.669696
     25          1           0        2.441497    1.841134   -0.753494
     26          1           0        3.577595    1.336297   -2.006833
     27          1           0        4.113060    2.400281   -0.703913
     28          1           0       -2.898442   -0.751368    1.416045
     29          6           0       -3.487164   -1.472476   -0.531817
     30          1           0       -3.218631    2.580750    1.021627
     31          1           0       -4.556603   -1.415011   -0.324547
     32          1           0       -3.151396   -2.495431   -0.362197
     33          1           0       -3.334967   -1.225513   -1.581072
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.1831818           0.2892133           0.2785107
 Leave Link  202 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  45 primitive shells out of 564 were deleted.
 There are   537 symmetry adapted cartesian basis functions of A   symmetry.
 There are   507 symmetry adapted basis functions of A   symmetry.
   507 basis functions,   921 primitive gaussians,   537 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       984.3576103471 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0249740735 Hartrees.
 Nuclear repulsion after empirical dispersion term =      984.3326362736 Hartrees.
 Leave Link  301 at Wed Sep  8 12:29:41 2021, MaxMem=  6442450944 cpu:              17.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   507 RedAO= T EigKep=  1.13D-06  NBF=   507
 NBsUse=   506 1.00D-06 EigRej=  9.64D-07 NBFU=   506
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   537   537   537   537   537 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Wed Sep  8 12:29:42 2021, MaxMem=  6442450944 cpu:              10.1 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Sep  8 12:29:43 2021, MaxMem=  6442450944 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer06_STD_wB97XD_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Sep  8 12:29:44 2021, MaxMem=  6442450944 cpu:              11.5 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441864761 LenY=  6441575855
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -656.578255153034    
 DIIS: error= 1.67D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -656.578255153034     IErMin= 1 ErrMin= 1.67D-03
 ErrMax= 1.67D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.88D-03 BMatP= 7.88D-03
 IDIUse=3 WtCom= 9.83D-01 WtEn= 1.67D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.363 Goal=   None    Shift=    0.000
 GapD=    0.363 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=3.71D-02 MaxDP=4.22D+00              OVMax= 1.12D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  3.08D-02    CP:  1.47D+00
 E= -656.584390319551     Delta-E=       -0.006135166517 Rises=F Damp=F
 DIIS: error= 2.87D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -656.584390319551     IErMin= 2 ErrMin= 2.87D-04
 ErrMax= 2.87D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.25D-04 BMatP= 7.88D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.87D-03
 Coeff-Com: -0.450D-01 0.104D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.448D-01 0.104D+01
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=5.50D-03 MaxDP=6.22D-01 DE=-6.14D-03 OVMax= 3.86D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.10D-03    CP:  1.54D+00  1.14D+00
 E= -656.584534145866     Delta-E=       -0.000143826315 Rises=F Damp=F
 DIIS: error= 2.58D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -656.584534145866     IErMin= 3 ErrMin= 2.58D-04
 ErrMax= 2.58D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.14D-05 BMatP= 1.25D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.58D-03
 Coeff-Com: -0.349D-01 0.479D+00 0.556D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.348D-01 0.478D+00 0.557D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=3.07D-04 MaxDP=3.29D-02 DE=-1.44D-04 OVMax= 1.46D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  6.78D-05    CP:  1.55D+00  1.15D+00  1.08D+00
 E= -656.584591059524     Delta-E=       -0.000056913658 Rises=F Damp=F
 DIIS: error= 4.44D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -656.584591059524     IErMin= 4 ErrMin= 4.44D-05
 ErrMax= 4.44D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.27D-06 BMatP= 8.14D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.228D-02-0.237D-01 0.127D+00 0.899D+00
 Coeff:     -0.228D-02-0.237D-01 0.127D+00 0.899D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=1.76D-04 MaxDP=1.87D-02 DE=-5.69D-05 OVMax= 5.56D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.85D-05    CP:  1.55D+00  1.15D+00  1.15D+00  1.46D+00
 E= -656.584594587867     Delta-E=       -0.000003528342 Rises=F Damp=F
 DIIS: error= 2.68D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -656.584594587867     IErMin= 5 ErrMin= 2.68D-05
 ErrMax= 2.68D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.07D-07 BMatP= 3.27D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.173D-02-0.469D-01 0.548D-02 0.373D+00 0.667D+00
 Coeff:      0.173D-02-0.469D-01 0.548D-02 0.373D+00 0.667D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=2.22D-05 MaxDP=1.88D-03 DE=-3.53D-06 OVMax= 2.79D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.05D-05    CP:  1.55D+00  1.15D+00  1.16D+00  1.56D+00  1.11D+00
 E= -656.584595133233     Delta-E=       -0.000000545366 Rises=F Damp=F
 DIIS: error= 9.80D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -656.584595133233     IErMin= 6 ErrMin= 9.80D-06
 ErrMax= 9.80D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.04D-07 BMatP= 6.07D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.109D-02-0.201D-01-0.109D-01 0.838D-01 0.334D+00 0.612D+00
 Coeff:      0.109D-02-0.201D-01-0.109D-01 0.838D-01 0.334D+00 0.612D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=7.17D-06 MaxDP=6.39D-04 DE=-5.45D-07 OVMax= 9.35D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.15D-06    CP:  1.55D+00  1.15D+00  1.16D+00  1.58D+00  1.15D+00
                    CP:  1.15D+00
 E= -656.584595218678     Delta-E=       -0.000000085446 Rises=F Damp=F
 DIIS: error= 1.75D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -656.584595218678     IErMin= 7 ErrMin= 1.75D-06
 ErrMax= 1.75D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.23D-09 BMatP= 1.04D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.174D-03-0.122D-02-0.452D-02-0.184D-01 0.456D-01 0.236D+00
 Coeff-Com:  0.743D+00
 Coeff:      0.174D-03-0.122D-02-0.452D-02-0.184D-01 0.456D-01 0.236D+00
 Coeff:      0.743D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=5.90D-06 MaxDP=6.79D-04 DE=-8.54D-08 OVMax= 4.55D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.61D-06    CP:  1.55D+00  1.15D+00  1.16D+00  1.58D+00  1.17D+00
                    CP:  1.18D+00  1.30D+00
 E= -656.584595228508     Delta-E=       -0.000000009830 Rises=F Damp=F
 DIIS: error= 8.06D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -656.584595228508     IErMin= 8 ErrMin= 8.06D-07
 ErrMax= 8.06D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.37D-10 BMatP= 8.23D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.766D-04 0.199D-02-0.979D-05-0.163D-01-0.288D-01-0.260D-01
 Coeff-Com:  0.218D+00 0.851D+00
 Coeff:     -0.766D-04 0.199D-02-0.979D-05-0.163D-01-0.288D-01-0.260D-01
 Coeff:      0.218D+00 0.851D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=1.86D-06 MaxDP=2.27D-04 DE=-9.83D-09 OVMax= 1.44D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.29D-07    CP:  1.55D+00  1.15D+00  1.16D+00  1.58D+00  1.18D+00
                    CP:  1.20D+00  1.32D+00  1.23D+00
 E= -656.584595229833     Delta-E=       -0.000000001325 Rises=F Damp=F
 DIIS: error= 1.67D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -656.584595229833     IErMin= 9 ErrMin= 1.67D-07
 ErrMax= 1.67D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.11D-11 BMatP= 8.37D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.382D-04 0.768D-03 0.320D-03-0.423D-02-0.121D-01-0.282D-01
 Coeff-Com:  0.227D-01 0.275D+00 0.746D+00
 Coeff:     -0.382D-04 0.768D-03 0.320D-03-0.423D-02-0.121D-01-0.282D-01
 Coeff:      0.227D-01 0.275D+00 0.746D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=2.41D-07 MaxDP=1.36D-05 DE=-1.32D-09 OVMax= 4.79D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.58D-07    CP:  1.55D+00  1.15D+00  1.16D+00  1.58D+00  1.18D+00
                    CP:  1.20D+00  1.35D+00  1.26D+00  1.05D+00
 E= -656.584595229960     Delta-E=       -0.000000000127 Rises=F Damp=F
 DIIS: error= 1.01D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -656.584595229960     IErMin=10 ErrMin= 1.01D-07
 ErrMax= 1.01D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.24D-11 BMatP= 7.11D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.147D-05-0.483D-04 0.116D-03 0.117D-02 0.852D-03-0.686D-02
 Coeff-Com: -0.248D-01-0.404D-01 0.261D+00 0.809D+00
 Coeff:     -0.147D-05-0.483D-04 0.116D-03 0.117D-02 0.852D-03-0.686D-02
 Coeff:     -0.248D-01-0.404D-01 0.261D+00 0.809D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=1.97D-07 MaxDP=1.62D-05 DE=-1.27D-10 OVMax= 2.12D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  9.01D-08    CP:  1.55D+00  1.15D+00  1.16D+00  1.58D+00  1.17D+00
                    CP:  1.20D+00  1.34D+00  1.26D+00  1.08D+00  1.08D+00
 E= -656.584595229950     Delta-E=        0.000000000010 Rises=F Damp=F
 DIIS: error= 3.00D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -656.584595229960     IErMin=11 ErrMin= 3.00D-08
 ErrMax= 3.00D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.85D-12 BMatP= 1.24D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.467D-05-0.126D-03-0.941D-06 0.103D-02 0.211D-02 0.723D-03
 Coeff-Com: -0.124D-01-0.541D-01 0.430D-02 0.315D+00 0.743D+00
 Coeff:      0.467D-05-0.126D-03-0.941D-06 0.103D-02 0.211D-02 0.723D-03
 Coeff:     -0.124D-01-0.541D-01 0.430D-02 0.315D+00 0.743D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=6.05D-08 MaxDP=6.23D-06 DE= 1.02D-11 OVMax= 9.23D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.25D-08    CP:  1.55D+00  1.15D+00  1.16D+00  1.58D+00  1.17D+00
                    CP:  1.20D+00  1.34D+00  1.25D+00  1.09D+00  1.16D+00
                    CP:  1.04D+00
 E= -656.584595230033     Delta-E=       -0.000000000083 Rises=F Damp=F
 DIIS: error= 1.74D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -656.584595230033     IErMin=12 ErrMin= 1.74D-08
 ErrMax= 1.74D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.93D-13 BMatP= 1.85D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.149D-05-0.287D-04-0.168D-04 0.122D-03 0.509D-03 0.103D-02
 Coeff-Com:  0.537D-04-0.993D-02-0.317D-01-0.221D-01 0.207D+00 0.855D+00
 Coeff:      0.149D-05-0.287D-04-0.168D-04 0.122D-03 0.509D-03 0.103D-02
 Coeff:      0.537D-04-0.993D-02-0.317D-01-0.221D-01 0.207D+00 0.855D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=1.54D-08 MaxDP=8.87D-07 DE=-8.30D-11 OVMax= 4.19D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  8.25D-09    CP:  1.55D+00  1.15D+00  1.16D+00  1.58D+00  1.17D+00
                    CP:  1.20D+00  1.34D+00  1.25D+00  1.08D+00  1.18D+00
                    CP:  1.13D+00  1.16D+00
 E= -656.584595229938     Delta-E=        0.000000000094 Rises=F Damp=F
 DIIS: error= 7.47D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -656.584595230033     IErMin=13 ErrMin= 7.47D-09
 ErrMax= 7.47D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.96D-14 BMatP= 1.93D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.323D-06 0.121D-04-0.346D-05-0.125D-03-0.183D-03 0.178D-03
 Coeff-Com:  0.190D-02 0.554D-02-0.894D-02-0.560D-01-0.635D-01 0.223D+00
 Coeff-Com:  0.898D+00
 Coeff:     -0.323D-06 0.121D-04-0.346D-05-0.125D-03-0.183D-03 0.178D-03
 Coeff:      0.190D-02 0.554D-02-0.894D-02-0.560D-01-0.635D-01 0.223D+00
 Coeff:      0.898D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=7.60D-09 MaxDP=5.29D-07 DE= 9.44D-11 OVMax= 2.50D-07

 SCF Done:  E(RwB97XD) =  -656.584595230     A.U. after   13 cycles
            NFock= 13  Conv=0.76D-08     -V/T= 2.0061
 KE= 6.526069909673D+02 PE=-3.495859349276D+03 EE= 1.202335126805D+03
 Leave Link  502 at Wed Sep  8 12:52:26 2021, MaxMem=  6442450944 cpu:           10887.1 elap:            1361.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   506
 NBasis=   507 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    506 NOA=    56 NOB=    56 NVA=   450 NVB=   450

 **** Warning!!: The largest alpha MO coefficient is  0.10035235D+03

 Leave Link  801 at Wed Sep  8 12:52:27 2021, MaxMem=  6442450944 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10234 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.20D-13 8.33D-09 XBig12= 1.00D+00 3.10D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.20D-13 8.33D-09 XBig12= 2.11D-01 6.51D-02.
     11 vectors produced by pass  2 Test12= 4.20D-13 8.33D-09 XBig12= 4.76D-02 6.29D-02.
     11 vectors produced by pass  3 Test12= 4.20D-13 8.33D-09 XBig12= 6.28D-03 1.77D-02.
     11 vectors produced by pass  4 Test12= 4.20D-13 8.33D-09 XBig12= 7.68D-04 5.39D-03.
     11 vectors produced by pass  5 Test12= 4.20D-13 8.33D-09 XBig12= 8.54D-05 1.03D-03.
     11 vectors produced by pass  6 Test12= 4.20D-13 8.33D-09 XBig12= 6.47D-06 4.16D-04.
     11 vectors produced by pass  7 Test12= 4.20D-13 8.33D-09 XBig12= 3.33D-07 8.29D-05.
     11 vectors produced by pass  8 Test12= 4.20D-13 8.33D-09 XBig12= 1.22D-08 1.53D-05.
     11 vectors produced by pass  9 Test12= 4.20D-13 8.33D-09 XBig12= 4.75D-10 3.09D-06.
      9 vectors produced by pass 10 Test12= 4.20D-13 8.33D-09 XBig12= 1.77D-11 5.36D-07.
      8 vectors produced by pass 11 Test12= 4.20D-13 8.33D-09 XBig12= 5.53D-13 1.09D-07.
      1 vectors produced by pass 12 Test12= 4.20D-13 8.33D-09 XBig12= 3.51D-14 1.19D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   128 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.211074D+03
      2 -0.974808D+00  0.139103D+03
      3  0.178636D+01 -0.779247D+01  0.154635D+03
 Isotropic polarizability for W=    0.088559      168.27 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.158628D+03  0.509928D+02 -0.248864D+02
      2  -0.896965D+02 -0.312845D+02  0.358896D+02
      3  -0.689319D+02 -0.197083D+02 -0.110032D+02
      4  -0.328402D+02  0.692987D+02 -0.165626D+02
      5  -0.283787D+02 -0.234147D+02  0.110659D+03
      6   0.137846D+01  0.201591D+02 -0.304398D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.102001D+02 -0.783509D+01  0.233414D+02
      2   0.241848D+01 -0.790040D+01  0.500698D+02
      3  -0.114100D+03 -0.346303D+02  0.146027D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.685216D+01 -0.157305D+02  0.107315D+02
      2   0.349235D+01 -0.179411D+02  0.179591D+03
      3  -0.838330D+02 -0.158995D+03  0.247932D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.163809D+01 -0.175615D+00  0.135520D+02
      2  -0.175615D+00 -0.228399D+01 -0.128541D+01
      3   0.135520D+02 -0.128541D+01 -0.285196D+01
 OR G Eigenvalues:   -14.4058    -2.2822    13.1901  Iso=     1.1660
 Eigenvectors:
   (1)  -0.643178   0.071524   0.762369
   (2)   0.093823   0.995487  -0.014241
   (3)   0.759947  -0.062369   0.646986
 w=    0.088559 a.u., Optical Rotation Beta=      1.1660 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =      286.61 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  128778 ScalPx= 3.01D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 6.79D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.00D-14 2.78D-09 XBig12= 1.00D+00 3.19D-01.
     30 vectors produced by pass  1 Test12= 7.00D-14 2.78D-09 XBig12= 1.94D-02 2.84D-02.
     30 vectors produced by pass  2 Test12= 7.00D-14 2.78D-09 XBig12= 2.05D-03 7.38D-03.
     30 vectors produced by pass  3 Test12= 7.00D-14 2.78D-09 XBig12= 7.13D-05 1.36D-03.
     30 vectors produced by pass  4 Test12= 7.00D-14 2.78D-09 XBig12= 2.10D-06 1.34D-04.
     30 vectors produced by pass  5 Test12= 7.00D-14 2.78D-09 XBig12= 2.75D-08 1.64D-05.
     30 vectors produced by pass  6 Test12= 7.00D-14 2.78D-09 XBig12= 3.53D-10 1.39D-06.
     30 vectors produced by pass  7 Test12= 7.00D-14 2.78D-09 XBig12= 3.83D-12 1.98D-07.
     29 vectors produced by pass  8 Test12= 7.00D-14 2.78D-09 XBig12= 4.25D-14 2.26D-08.
     12 vectors produced by pass  9 Test12= 7.00D-14 2.78D-09 XBig12= 4.98D-15 4.56D-09.
      6 vectors produced by pass 10 Test12= 7.00D-14 2.78D-09 XBig12= 3.93D-15 4.65D-09.
      6 vectors produced by pass 11 Test12= 7.00D-14 2.78D-09 XBig12= 3.53D-14 1.64D-08.
      6 vectors produced by pass 12 Test12= 7.00D-14 2.78D-09 XBig12= 1.59D-14 8.01D-09.
      6 vectors produced by pass 13 Test12= 7.00D-14 2.78D-09 XBig12= 3.83D-14 1.24D-08.
      6 vectors produced by pass 14 Test12= 7.00D-14 2.78D-09 XBig12= 2.10D-14 9.63D-09.
      6 vectors produced by pass 15 Test12= 7.00D-14 2.78D-09 XBig12= 3.03D-14 1.23D-08.
      6 vectors produced by pass 16 Test12= 7.00D-14 2.78D-09 XBig12= 3.63D-14 1.08D-08.
      6 vectors produced by pass 17 Test12= 7.00D-14 2.78D-09 XBig12= 2.13D-14 8.70D-09.
      6 vectors produced by pass 18 Test12= 7.00D-14 2.78D-09 XBig12= 1.59D-14 7.19D-09.
      6 vectors produced by pass 19 Test12= 7.00D-14 2.78D-09 XBig12= 3.72D-14 1.11D-08.
      5 vectors produced by pass 20 Test12= 7.00D-14 2.78D-09 XBig12= 1.82D-14 7.46D-09.
      5 vectors produced by pass 21 Test12= 7.00D-14 2.78D-09 XBig12= 1.29D-14 6.04D-09.
      5 vectors produced by pass 22 Test12= 7.00D-14 2.78D-09 XBig12= 1.89D-14 7.24D-09.
      5 vectors produced by pass 23 Test12= 7.00D-14 2.78D-09 XBig12= 3.02D-14 9.92D-09.
      2 vectors produced by pass 24 Test12= 7.00D-14 2.78D-09 XBig12= 5.56D-15 3.84D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.44D-15
 Solved reduced A of dimension   363 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 1.42D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 1.42D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 8.46D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.211074D+03 -0.974808D+00  0.178636D+01
      2  -0.974808D+00  0.139103D+03 -0.779247D+01
      3   0.178636D+01 -0.779247D+01  0.154635D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.102001D+02 -0.783509D+01  0.233414D+02
      2   0.241848D+01 -0.790040D+01  0.500698D+02
      3  -0.114100D+03 -0.346303D+02  0.146027D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.158628D+03  0.509928D+02 -0.248864D+02
      2  -0.896965D+02 -0.312845D+02  0.358896D+02
      3  -0.689319D+02 -0.197083D+02 -0.110032D+02
      4  -0.328402D+02  0.692987D+02 -0.165626D+02
      5  -0.283787D+02 -0.234147D+02  0.110659D+03
      6   0.137846D+01  0.201591D+02 -0.304398D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.110653D+02  0.147025D-01  0.701020D+00  0.544819D+01  0.193350D+01
      2   0.147025D-01  0.122447D+01 -0.917352D-01  0.193350D+01  0.183267D+01
      3   0.701020D+00 -0.917352D-01  0.147312D+01 -0.531747D+00 -0.278718D+01
                 6             7             8             9            10 
      1  -0.531747D+00 -0.947121D+01  0.269925D+00 -0.281778D+00  0.290830D+02
      2  -0.278718D+01  0.269925D+00 -0.134815D+01 -0.101572D+01  0.157290D+01
      3  -0.207363D+01 -0.281778D+00 -0.101572D+01 -0.209225D+01 -0.122922D+01
                11            12            13            14            15 
      1   0.157290D+01 -0.122922D+01 -0.123309D+01  0.358474D+01  0.154591D+01
      2   0.177516D+01 -0.720505D+00  0.358474D+01 -0.146412D+01 -0.556222D-01
      3  -0.720505D+00  0.298238D+01  0.154591D+01 -0.556222D-01 -0.108109D+01
                16            17            18            19            20 
      1  -0.343958D+01  0.165765D+01  0.115915D+01  0.803883D+01 -0.283230D+00
      2   0.165765D+01  0.342456D-01 -0.913209D+00 -0.283230D+00 -0.120091D+01
      3   0.115915D+01 -0.913209D+00 -0.250851D+00 -0.708338D+00 -0.451465D+00
                21            22            23            24            25 
      1  -0.708338D+00  0.381852D+01 -0.151879D+01 -0.109226D+01 -0.131203D+02
      2  -0.451465D+00 -0.151879D+01  0.256272D+01 -0.214686D+01  0.937069D-01
      3  -0.337177D+01 -0.109226D+01 -0.214686D+01 -0.108440D+01  0.339928D+00
                26            27            28            29            30 
      1   0.937069D-01  0.339928D+00 -0.266625D+02 -0.273004D+00  0.112358D+01
      2  -0.823888D+00 -0.755760D+00 -0.273004D+00 -0.156296D+01  0.248006D+00
      3  -0.755760D+00 -0.150529D+01  0.112358D+01  0.248006D+00 -0.270230D+01
                31            32            33            34            35 
      1   0.244394D+01 -0.465389D+01 -0.152114D+01  0.298321D+01 -0.145298D+01
      2  -0.465389D+01  0.784206D+00  0.462999D+00 -0.145298D+01  0.106110D+00
      3  -0.152114D+01  0.462999D+00  0.230766D+00 -0.619039D+00 -0.765504D+00
                36            37            38            39            40 
      1  -0.619039D+00  0.123679D+02 -0.701936D+00 -0.102608D+01 -0.442959D+01
      2  -0.765504D+00 -0.701936D+00 -0.256312D+01  0.149362D+01 -0.157650D+01
      3   0.747923D+00 -0.102608D+01  0.149362D+01 -0.199788D+01  0.857741D-01
                41            42            43            44            45 
      1  -0.157650D+01  0.857741D-01  0.107150D+02 -0.172872D+01  0.366864D+00
      2  -0.272638D+01  0.242501D+01 -0.172872D+01  0.132745D+01  0.127333D+01
      3   0.242501D+01  0.194479D+01  0.366864D+00  0.127333D+01  0.183223D+01
                46            47            48            49            50 
      1  -0.915468D+01  0.743702D+00  0.868052D+00 -0.208886D+01  0.133816D+01
      2   0.743702D+00  0.184855D+01 -0.703693D+00  0.133816D+01 -0.371712D+01
      3   0.868052D+00 -0.703693D+00  0.348891D+01  0.184148D+01  0.208075D+01
                51            52            53            54            55 
      1   0.184148D+01  0.130080D+02  0.127329D+01 -0.727596D+00 -0.135326D+02
      2   0.208075D+01  0.127329D+01 -0.512003D-01  0.136320D+01 -0.299578D+01
      3   0.972881D+00 -0.727596D+00  0.136320D+01  0.902694D+00 -0.567844D+00
                56            57            58            59            60 
      1  -0.299578D+01 -0.567844D+00 -0.671842D+01 -0.690439D+01 -0.340697D+00
      2  -0.380362D+01  0.386495D-01 -0.690439D+01  0.344349D+00 -0.205018D+01
      3   0.386495D-01 -0.147416D+01 -0.340697D+00 -0.205018D+01  0.165558D+01
                61            62            63            64            65 
      1  -0.176725D+01 -0.530800D+00 -0.306417D+01 -0.373202D+01  0.457627D+01
      2  -0.530800D+00 -0.275666D+01  0.276084D+01  0.457627D+01  0.326104D+01
      3  -0.306417D+01  0.276084D+01  0.475150D+01  0.251530D+01 -0.341823D+00
                66            67            68            69            70 
      1   0.251530D+01  0.125263D+02  0.501239D+01 -0.902331D-01  0.547670D+01
      2  -0.341823D+00  0.501239D+01  0.131498D+01  0.341415D+01  0.732739D+00
      3   0.772479D+00 -0.902331D-01  0.341415D+01 -0.265988D+01  0.525276D-01
                71            72            73            74            75 
      1   0.732739D+00  0.525276D-01  0.307523D+01 -0.334209D+01 -0.250239D+01
      2   0.352260D+01 -0.235959D+01 -0.334209D+01 -0.330929D+01 -0.428952D-01
      3  -0.235959D+01 -0.454580D+01 -0.250239D+01 -0.428952D-01 -0.129512D+01
                76            77            78            79            80 
      1  -0.483537D+01 -0.439238D+01 -0.407690D-01 -0.287903D+01  0.203509D+00
      2  -0.439238D+01 -0.802660D+00 -0.432070D+01  0.203509D+00 -0.314894D+01
      3  -0.407690D-01 -0.432070D+01  0.276957D+01 -0.267464D+00  0.234686D+01
                81            82            83            84            85 
      1  -0.267464D+00  0.299842D+01 -0.400853D+01 -0.149330D+01 -0.607221D+01
      2   0.234686D+01 -0.400853D+01 -0.384569D+01  0.356541D+00 -0.414311D+01
      3   0.288754D+01 -0.149330D+01  0.356541D+00 -0.848930D+00 -0.591485D-01
                86            87            88            89            90 
      1  -0.414311D+01 -0.591485D-01 -0.222832D+01 -0.901722D+00 -0.637939D+00
      2  -0.238158D+01 -0.253901D+01 -0.901722D+00 -0.330803D+01  0.180993D+01
      3  -0.253901D+01  0.285417D+01 -0.637939D+00  0.180993D+01  0.606728D+01
                91            92            93            94            95 
      1   0.409492D+01  0.261430D+01  0.508603D+00  0.178903D-01  0.550088D+01
      2   0.261430D+01  0.187692D+01  0.103890D+01  0.550088D+01 -0.365063D+01
      3   0.508603D+00  0.103890D+01  0.137099D+01  0.189899D+01 -0.592631D-01
                96            97            98            99           100 
      1   0.189899D+01  0.390733D+01  0.175499D+01  0.190112D+01  0.244407D+01
      2  -0.592631D-01  0.175499D+01  0.192657D+01  0.196593D+01 -0.170655D+01
      3   0.152345D+01  0.190112D+01  0.196593D+01 -0.406439D+01  0.156714D+01
               101           102           103           104           105 
      1  -0.170655D+01  0.156714D+01 -0.160980D+01 -0.658836D+00 -0.136107D+01
      2   0.235357D+00 -0.928873D+00 -0.658836D+00  0.364968D+01  0.170344D+00
      3  -0.928873D+00  0.299549D+00 -0.136107D+01  0.170344D+00 -0.170431D+01
               106           107           108           109           110 
      1   0.258559D+01 -0.256001D+01  0.129561D+01 -0.528843D+01  0.216315D+01
      2  -0.256001D+01  0.186085D+01 -0.264730D+01  0.216315D+01 -0.151838D+01
      3   0.129561D+01 -0.264730D+01  0.277417D+01 -0.342327D+01  0.738385D+00
               111           112           113           114           115 
      1  -0.342327D+01  0.310823D+01 -0.245340D+01  0.129320D+01 -0.748645D+01
      2   0.738385D+00 -0.245340D+01  0.269461D+01 -0.225271D+01  0.297349D+01
      3  -0.177945D+01  0.129320D+01 -0.225271D+01  0.208962D+01 -0.308860D+01
               116           117           118           119           120 
      1   0.297349D+01 -0.308860D+01  0.101183D+01  0.530087D-01  0.125228D+01
      2  -0.438600D+01  0.217491D+01  0.530087D-01  0.203975D+01  0.441502D+00
      3   0.217491D+01 -0.727846D+01  0.125228D+01  0.441502D+00  0.290706D+00
               121           122           123           124           125 
      1   0.365509D-01  0.206622D+01  0.151943D+00  0.325233D+01 -0.115109D+01
      2   0.206622D+01 -0.611655D+01  0.693561D+00 -0.115109D+01  0.288027D+01
      3   0.151943D+00  0.693561D+00  0.218422D+00 -0.934583D+00  0.262877D+01
               126           127           128           129           130 
      1  -0.934583D+00  0.188230D+01  0.605708D+00 -0.184201D+01  0.254473D+00
      2   0.262877D+01  0.605708D+00  0.259206D+00 -0.327523D+00  0.146003D+00
      3   0.465949D+01 -0.184201D+01 -0.327523D+00  0.195946D+01 -0.535381D+00
               131           132           133           134           135 
      1   0.146003D+00 -0.535381D+00 -0.220951D+01 -0.882147D+00  0.262895D+01
      2   0.364871D+00 -0.536970D+00 -0.882147D+00 -0.113507D+01  0.156810D+01
      3  -0.536970D+00  0.197844D+01  0.262895D+01  0.156810D+01 -0.696139D+01
               136           137           138           139           140 
      1  -0.344708D+01  0.985137D+00 -0.178892D+01  0.152314D+01 -0.583396D+00
      2   0.985137D+00 -0.738043D+00  0.617053D+00 -0.583396D+00  0.623103D+00
      3  -0.178892D+01  0.617053D+00 -0.173849D+01  0.113410D+01 -0.641971D+00
               141           142           143           144           145 
      1   0.113410D+01 -0.246778D+01  0.992465D+00 -0.241978D+01 -0.199089D+01
      2  -0.641971D+00  0.992465D+00 -0.124089D+01  0.144727D+01 -0.633960D+00
      3   0.172596D+01 -0.241978D+01  0.144727D+01 -0.430750D+01  0.204823D+01
               146           147           148           149           150 
      1  -0.633960D+00  0.204823D+01 -0.358101D+00 -0.167872D+00  0.639976D+00
      2  -0.333782D+00  0.631842D+00 -0.167872D+00 -0.574429D+00  0.804689D+00
      3   0.631842D+00 -0.224095D+01  0.639976D+00  0.804689D+00 -0.231617D+01
               151           152           153           154           155 
      1   0.202955D+01  0.103058D+01 -0.263539D+01  0.348244D+01 -0.112165D+01
      2   0.103058D+01  0.160088D+01 -0.242283D+01 -0.112165D+01  0.100653D+01
      3  -0.263539D+01 -0.242283D+01  0.723873D+01  0.242127D+01 -0.108248D+01
               156           157           158           159           160 
      1   0.242127D+01 -0.195231D+01  0.822347D+00 -0.143315D+01  0.246316D+01
      2  -0.108248D+01  0.822347D+00 -0.918095D+00  0.991220D+00 -0.125229D+01
      3   0.211593D+01 -0.143315D+01  0.991220D+00 -0.203836D+01  0.271535D+01
               161           162           163           164           165 
      1  -0.125229D+01  0.271535D+01  0.155939D+01 -0.375808D+00 -0.159016D+01
      2   0.172345D+01 -0.209662D+01 -0.375808D+00  0.874980D+00  0.436940D+00
      3  -0.209662D+01  0.460045D+01 -0.159016D+01  0.436940D+00  0.132317D+01
               166           167           168           169           170 
      1   0.108512D+01  0.145098D+01  0.424843D+00 -0.451297D+01  0.684594D+00
      2   0.145098D+01 -0.110437D+01 -0.118503D+01  0.684594D+00 -0.182619D+01
      3   0.424843D+00 -0.118503D+01 -0.126239D+01  0.293274D+01 -0.247951D+01
               171           172           173           174           175 
      1   0.293274D+01  0.330067D+01 -0.181380D+01  0.101839D+01 -0.268616D+01
      2  -0.247951D+01 -0.181380D+01  0.236008D+01 -0.368489D+00  0.316254D+01
      3  -0.663880D+01  0.101839D+01 -0.368489D+00  0.664723D+00 -0.513387D+00
               176           177           178           179           180 
      1   0.316254D+01 -0.513387D+00  0.435073D+01 -0.927647D+00  0.115993D+01
      2  -0.548039D+01  0.136297D+01 -0.927647D+00  0.271687D+01 -0.152920D+01
      3   0.136297D+01 -0.109563D+01  0.115993D+01 -0.152920D+01  0.867429D+00
               181           182           183           184           185 
      1   0.129279D+02 -0.149403D+01 -0.168281D+01 -0.321433D+01  0.114649D+01
      2  -0.149403D+01  0.116302D+01  0.218028D+00  0.114649D+01 -0.992499D+00
      3  -0.168281D+01  0.218028D+00  0.144455D+01  0.160749D+00 -0.699385D+00
               186           187           188           189           190 
      1   0.160749D+00 -0.239216D+01  0.971619D-02  0.191396D+01  0.418938D+01
      2  -0.699385D+00  0.971619D-02 -0.785587D+00  0.763458D-01  0.303596D+01
      3  -0.108552D+00  0.191396D+01  0.763458D-01 -0.311456D+00  0.219851D+01
               191           192           193           194           195 
      1   0.303596D+01  0.219851D+01  0.395115D+01  0.375486D+01  0.192382D+01
      2   0.289083D+01  0.127677D+01  0.375486D+01  0.488659D+01  0.255590D+01
      3   0.127677D+01  0.187998D+01  0.192382D+01  0.255590D+01  0.211128D+01
               196           197           198           199           200 
      1   0.131585D+01  0.896983D+00  0.151464D+01  0.122497D+01 -0.679115D+00
      2   0.896983D+00  0.133769D+01  0.116663D+01 -0.679115D+00  0.132069D+01
      3   0.151464D+01  0.116663D+01  0.131355D+01  0.149951D+01 -0.669815D+00
               201           202           203           204           205 
      1   0.149951D+01 -0.156005D+01  0.135848D+01 -0.134882D+01  0.156059D+01
      2  -0.669815D+00  0.135848D+01 -0.343988D+01  0.261247D+01 -0.676607D+00
      3   0.149984D+01 -0.134882D+01  0.261247D+01 -0.360266D+01  0.148149D+01
               206           207           208           209           210 
      1  -0.676607D+00  0.148149D+01 -0.699445D+01  0.267726D+00  0.691677D+00
      2   0.208941D+01 -0.205235D+01  0.267726D+00 -0.131462D+01 -0.799784D+00
      3  -0.205235D+01  0.369935D+01  0.691677D+00 -0.799784D+00 -0.200447D+01
               211           212           213           214           215 
      1   0.319551D+00 -0.699687D+00 -0.580341D+00  0.742704D+00 -0.407724D+00
      2  -0.699687D+00  0.812213D+00  0.827502D+00 -0.407724D+00  0.611465D+00
      3  -0.580341D+00  0.827502D+00  0.454257D+00 -0.844439D+00  0.114094D+00
               216           217           218           219           220 
      1  -0.844439D+00 -0.552851D+01  0.127345D+01  0.547600D+00  0.298834D+01
      2   0.114094D+00  0.127345D+01 -0.183661D+01  0.236665D+00  0.149709D+00
      3   0.103928D+01  0.547600D+00  0.236665D+00 -0.105111D+01 -0.154499D+00
               221           222           223           224           225 
      1   0.149709D+00 -0.154499D+00  0.708315D+00 -0.223464D+00 -0.438913D+00
      2   0.212456D+01  0.342792D-01 -0.223464D+00  0.679012D+00  0.157174D+00
      3   0.342792D-01  0.244478D+00 -0.438913D+00  0.157174D+00 -0.329347D+00
               226           227           228           229           230 
      1   0.340731D+00  0.440571D+00 -0.106498D+01  0.409618D-01  0.364912D+00
      2   0.440571D+00  0.576623D+00 -0.111213D+00  0.364912D+00 -0.447833D-01
      3  -0.106498D+01 -0.111213D+00  0.976441D+00  0.532804D-01 -0.627423D+00
               231           232           233           234           235 
      1   0.532804D-01 -0.149175D+01 -0.321971D+00  0.127824D+01  0.352192D+01
      2  -0.627423D+00 -0.321971D+00 -0.134237D+01  0.461703D+00  0.353797D+01
      3  -0.116201D+01  0.127824D+01  0.461703D+00 -0.879405D+01  0.207827D-01
               236           237           238           239           240 
      1   0.353797D+01  0.207827D-01  0.358073D+01  0.430399D+01 -0.150868D+00
      2   0.407175D+01 -0.193605D+00  0.430399D+01  0.718799D+01 -0.372245D-01
      3  -0.193605D+00  0.944272D+00 -0.150868D+00 -0.372245D-01  0.741497D+00
               241           242           243           244           245 
      1   0.107913D+01  0.811971D+00  0.781436D+00  0.365446D+00 -0.876270D+00
      2   0.811971D+00  0.161938D+01  0.661783D+00 -0.876270D+00 -0.453198D+00
      3   0.781436D+00  0.661783D+00 -0.151478D+00  0.129609D+01  0.662794D-01
               246           247           248           249           250 
      1   0.129609D+01 -0.131042D+01 -0.959446D+00  0.173080D+00  0.255255D+01
      2   0.662794D-01 -0.959446D+00 -0.593927D+00  0.108019D+01  0.214712D+00
      3  -0.110064D+01  0.173080D+00  0.108019D+01 -0.123200D+01 -0.191012D+01
               251           252           253           254           255 
      1   0.214712D+00 -0.191012D+01  0.788501D+01 -0.717711D+00 -0.194183D+01
      2   0.147380D+01 -0.107814D+01 -0.717711D+00 -0.346668D+01 -0.829984D+00
      3  -0.107814D+01  0.594694D+01 -0.194183D+01 -0.829984D+00 -0.112677D+01
               256           257           258           259           260 
      1  -0.502207D+01 -0.366678D+01 -0.125652D+01 -0.645240D+01 -0.153954D+01
      2  -0.366678D+01  0.380397D+01 -0.130934D+01 -0.153954D+01 -0.246467D+01
      3  -0.125652D+01 -0.130934D+01 -0.188286D+01 -0.158099D+01 -0.147517D+01
               261           262           263           264           265 
      1  -0.158099D+01 -0.973479D+00  0.143570D+01  0.493546D+00  0.160958D+01
      2  -0.147517D+01  0.143570D+01 -0.194473D+01 -0.476773D+00 -0.278025D+01
      3   0.364516D+01  0.493546D+00 -0.476773D+00 -0.411017D+00 -0.560220D+00
               266           267           268           269           270 
      1  -0.278025D+01 -0.560220D+00 -0.232312D+00  0.504244D+00 -0.208904D+00
      2   0.970162D+01  0.193060D+01  0.504244D+00 -0.138637D+01  0.553553D+00
      3   0.193060D+01  0.170520D+01 -0.208904D+00  0.553553D+00  0.473658D+00
               271           272           273           274           275 
      1  -0.150254D+02 -0.188527D+01  0.303653D+00  0.684374D+00 -0.100160D+01
      2  -0.188527D+01 -0.139853D+01 -0.128710D+00 -0.100160D+01 -0.481357D+00
      3   0.303653D+00 -0.128710D+00 -0.106109D+01  0.925360D-01  0.211442D+00
               276           277           278           279           280 
      1   0.925360D-01  0.241149D+01  0.464205D+00 -0.116100D+01 -0.180375D-01
      2   0.211442D+00  0.464205D+00  0.629049D+00 -0.147149D-01 -0.723807D+00
      3   0.259508D+00 -0.116100D+01 -0.147149D-01  0.716253D-01  0.307510D+00
               281           282           283           284           285 
      1  -0.723807D+00  0.307510D+00 -0.153504D+01 -0.259763D+00 -0.374155D-01
      2   0.205137D+01  0.223966D+00 -0.259763D+00 -0.840375D+01 -0.205353D-01
      3   0.223966D+00  0.403567D+00 -0.374155D-01 -0.205353D-01 -0.922650D+00
               286           287           288           289           290 
      1   0.993561D+00  0.324655D+00  0.471864D-01 -0.381085D+00  0.312278D+00
      2   0.324655D+00  0.123322D+01 -0.714334D+00  0.312278D+00  0.453833D+00
      3   0.471864D-01 -0.714334D+00 -0.113529D+00 -0.521585D+00  0.206218D+00
               291           292           293           294           295 
      1  -0.521585D+00  0.118881D+01  0.323878D+00  0.187992D+00 -0.198474D+01
      2   0.206218D+00  0.323878D+00  0.204376D+00 -0.388686D+00 -0.336713D+00
      3   0.314067D+00  0.187992D+00 -0.388686D+00  0.746743D+00 -0.748419D+00
               296           297 
      1  -0.336713D+00 -0.748419D+00
      2  -0.136829D+01 -0.210467D+00
      3  -0.210467D+00 -0.617440D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.286993D+01 -0.204385D+01  0.175484D+01 -0.734834D+01 -0.205635D+01
      2   0.356631D+01 -0.254094D+01  0.943924D+01 -0.263274D+01  0.210255D+01
      3   0.188202D+02 -0.123855D+01  0.275932D+01  0.707440D+01 -0.163242D+01
                 6             7             8             9            10 
      1  -0.238374D+01 -0.566045D+00  0.237157D+01 -0.845357D-01 -0.370257D+01
      2  -0.370457D+01 -0.455277D+01 -0.117972D+01  0.248915D+01 -0.924641D+00
      3   0.261510D+01  0.147942D+02  0.604399D+00  0.257219D+01 -0.359007D+02
                11            12            13            14            15 
      1  -0.414219D+00  0.123227D+01  0.344985D+01  0.468491D+01 -0.886748D+01
      2   0.531309D+00 -0.242785D+01  0.432587D+01 -0.347026D+00  0.412857D+00
      3  -0.171201D+01  0.106794D+01  0.105567D+02 -0.191732D+01 -0.105428D+01
                16            17            18            19            20 
      1  -0.420242D+01 -0.231373D+01 -0.457947D+01 -0.118325D+01  0.142808D+01
      2  -0.225978D+02 -0.151973D+01 -0.385419D+01 -0.470000D+01 -0.203336D+01
      3  -0.591387D-01 -0.154344D+01 -0.652872D+00 -0.109042D+02 -0.174810D+01
                21            22            23            24            25 
      1  -0.158633D+01  0.566679D+01 -0.223893D+01 -0.331325D+01  0.528494D+01
      2   0.326854D+01 -0.401660D+01 -0.226634D+01  0.123344D+01 -0.140516D+01
      3   0.297596D+01  0.779610D+01  0.130041D+01 -0.231055D+01  0.182368D+02
                26            27            28            29            30 
      1   0.180801D+01 -0.191864D+01  0.216146D+01  0.705029D+00 -0.334297D+01
      2   0.663407D+00 -0.192083D+01  0.253912D+00  0.224468D+01 -0.357679D+01
      3  -0.105149D+01 -0.465876D+01  0.285058D+02  0.711221D+00 -0.282466D+01
                31            32            33            34            35 
      1  -0.136858D+01  0.497904D+01 -0.844690D+01 -0.599515D+01 -0.146213D+01
      2   0.454646D+01 -0.329590D+00  0.242661D+01 -0.246416D+02  0.350445D+01
      3   0.864223D+01  0.527294D+01  0.837516D+00 -0.639964D+01 -0.193816D+01
                36            37            38            39            40 
      1  -0.329268D+01 -0.320923D+01 -0.395608D+00 -0.140323D+01 -0.484168D+01
      2  -0.312622D+00 -0.123999D+01 -0.249125D+01  0.825554D+01 -0.310514D+01
      3   0.285688D+01 -0.145152D+02  0.130253D+00  0.269399D+01  0.151833D+02
                41            42            43            44            45 
      1   0.129681D+01  0.818293D+00 -0.209378D+01  0.388951D+01  0.302214D+01
      2   0.169787D+01 -0.239001D+01 -0.678961D+01 -0.934017D+00  0.195222D+01
      3  -0.675427D+00  0.203989D+01 -0.104571D+02  0.377207D+01  0.129145D+01
                46            47            48            49            50 
      1   0.277603D+01  0.136971D+01  0.319380D+01  0.927351D+01  0.130107D+01
      2  -0.108876D+01 -0.207375D+01  0.304403D+01 -0.385936D+01 -0.174878D+01
      3   0.147530D+02 -0.204972D+01 -0.799208D+00  0.129979D+02  0.204651D+01
                51            52            53            54            55 
      1  -0.259524D+01  0.231070D+01  0.362300D+01  0.195202D+00  0.195257D+01
      2   0.910371D+00 -0.391410D+01  0.838336D+00 -0.504533D-01 -0.711302D+01
      3  -0.505632D+01 -0.134941D+02 -0.183800D+01 -0.134735D+01  0.237609D+02
                56            57            58            59            60 
      1   0.177451D+01 -0.800870D-01  0.402701D+01 -0.303699D+01  0.255522D+01
      2  -0.609893D+00 -0.316822D+01 -0.408565D+01 -0.121371D+02  0.748672D+01
      3   0.131728D+02  0.625779D-01  0.393048D+02  0.885860D+01  0.823246D+01
                61            62            63            64            65 
      1  -0.483020D+00  0.791968D+01  0.434636D+01 -0.201631D+01 -0.119654D+00
      2  -0.196560D+02  0.902877D+01  0.158841D+02  0.122160D+02 -0.451111D+00
      3   0.390318D+01  0.110242D+02 -0.509159D+01 -0.284974D+02 -0.171649D+02
                66            67            68            69            70 
      1  -0.775922D+00 -0.326563D+01 -0.229910D+01 -0.263444D+01  0.263117D+01
      2   0.663372D+01  0.426564D+01  0.160327D+02 -0.121622D+02 -0.136858D+01
      3   0.202219D+01 -0.263163D+02 -0.676850D+01 -0.138975D+02 -0.581420D+01
                71            72            73            74            75 
      1   0.493729D+01  0.204880D+01 -0.199172D+01 -0.613709D+01  0.668313D+00
      2  -0.100919D+02 -0.188422D+02 -0.181831D+02  0.542198D+01  0.334746D+01
      3  -0.151004D+02  0.807592D+01  0.173421D+02  0.946556D+01 -0.258046D+01
                76            77            78            79            80 
      1  -0.877858D+01  0.197274D+01 -0.136341D+02  0.563064D+00 -0.673089D+01
      2   0.667208D+01 -0.106485D+02  0.118077D+02  0.359892D+01  0.976239D+01
      3   0.174284D+02  0.682116D+00  0.167133D+02 -0.287514D+01  0.124725D+02
                81            82            83            84            85 
      1   0.258648D+01  0.651268D+01  0.411214D+01  0.139596D+01  0.595159D+01
      2   0.136809D+02 -0.564249D+00 -0.372886D+01 -0.260386D+01 -0.724626D+01
      3  -0.958295D+01  0.247479D+02  0.442185D+01 -0.277776D+01  0.766832D+01
                86            87            88            89            90 
      1   0.899412D+01 -0.452479D+01  0.312541D+01  0.305966D+01 -0.156879D+02
      2  -0.146303D+02  0.113284D+02 -0.599514D+01  0.686237D+01  0.207157D+02
      3   0.375477D+00  0.105711D+02  0.492809D+00  0.118611D+02 -0.720146D+01
                91            92            93            94            95 
      1   0.657720D+00  0.418051D+00  0.203882D+01  0.203595D+01 -0.190888D+01
      2  -0.422023D+01 -0.369870D+01 -0.605754D+00 -0.413348D+01 -0.273494D+01
      3  -0.143096D+01  0.297452D+00  0.312603D+01  0.307988D+02 -0.164632D+02
                96            97            98            99           100 
      1  -0.328262D+01  0.259912D+01  0.492999D+01 -0.105834D+01 -0.876628D+00
      2  -0.690522D+01 -0.154185D+02 -0.660715D+01  0.143326D+02  0.154442D+01
      3  -0.135718D+01  0.206685D+01  0.439668D+01  0.503713D+01  0.114168D+02
               101           102           103           104           105 
      1  -0.541640D+01 -0.503052D+01 -0.168959D+00  0.599199D-01  0.270387D+01
      2   0.379617D+01  0.526193D+01  0.221911D+01  0.122555D+01  0.129072D+02
      3  -0.136535D+02 -0.522615D+01 -0.705900D+01  0.386456D+01  0.283748D+01
               106           107           108           109           110 
      1  -0.679470D+01  0.885585D+00 -0.383989D+01  0.422450D+01  0.273557D+01
      2  -0.375809D+01  0.103362D+02 -0.162346D+02  0.894738D+01 -0.275206D+01
      3  -0.990774D+01  0.127144D+02 -0.675717D+01 -0.592017D+00 -0.439592D+01
               111           112           113           114           115 
      1   0.397082D+01 -0.637346D+00  0.409900D+00 -0.697983D+01  0.416602D+01
      2   0.840501D+01 -0.815818D+00  0.745026D+01 -0.105163D+02  0.417277D+01
      3   0.689273D+00 -0.407406D+01  0.119279D+02 -0.759324D+01  0.106026D+02
               116           117           118           119           120 
      1   0.455243D+01  0.115180D+02 -0.358471D+01  0.267811D+01  0.513856D-01
      2  -0.678911D+01  0.288448D+02 -0.549946D+01 -0.106270D+01 -0.100171D+00
      3  -0.184633D+02  0.587914D+01 -0.706170D+00  0.631893D+01  0.420924D+01
               121           122           123           124           125 
      1   0.108036D+01 -0.586830D+01 -0.287007D+01 -0.192817D+01  0.694662D+01
      2  -0.230255D+01 -0.411607D+01 -0.187130D+01 -0.194515D+01 -0.760377D+01
      3   0.751655D+01 -0.151958D+02  0.260668D+01 -0.153200D+01  0.862065D+01
               126           127           128           129           130 
      1  -0.709036D+01 -0.221856D+01 -0.198094D+01  0.109355D+01 -0.493374D+00
      2  -0.148742D+02  0.445643D+01  0.115432D+01 -0.104867D+01  0.427349D+00
      3   0.836895D+01 -0.424946D+00 -0.871454D+00  0.831916D+00  0.985698D+00
               131           132           133           134           135 
      1  -0.128642D+01 -0.161719D+00  0.319575D+01  0.544486D+01 -0.529484D+01
      2   0.373866D-01  0.516000D+00 -0.502984D+01 -0.563350D+00 -0.198309D+01
      3  -0.333268D+00  0.289888D+00  0.104271D+01  0.217507D+01 -0.167538D+01
               136           137           138           139           140 
      1  -0.218100D+01  0.299572D+01 -0.816441D+00  0.116711D+01 -0.137680D+01
      2  -0.781651D+01  0.157511D+01 -0.960575D+00  0.196127D+01 -0.655268D+00
      3   0.558976D+00 -0.162529D+01  0.822134D+00  0.611280D+00  0.119616D+01
               141           142           143           144           145 
      1  -0.503985D+00 -0.215017D+01  0.414410D+01 -0.269374D+01  0.193023D+01
      2   0.177912D+00 -0.471448D+01  0.770388D+00  0.542911D+00  0.406175D+01
      3  -0.468636D+00  0.688420D+00 -0.257004D+01  0.172563D+01  0.291147D+01
               146           147           148           149           150 
      1  -0.848465D+00 -0.252173D+01  0.899250D+00  0.114332D+00 -0.375031D+01
      2   0.434384D+00 -0.983821D+00  0.336977D+00 -0.627501D-01  0.650790D+00
      3   0.220248D-02 -0.223212D+01  0.168110D+01 -0.269998D+00 -0.607854D+00
               151           152           153           154           155 
      1  -0.180482D+01  0.217360D+01  0.581656D+01  0.284636D+01  0.125739D+01
      2  -0.467507D+01 -0.410588D+00 -0.768962D+00 -0.468410D+01  0.565635D-01
      3  -0.256156D+01  0.621815D+00  0.231967D+01 -0.551799D+01 -0.981083D+00
               156           157           158           159           160 
      1   0.265285D+01 -0.173484D+01  0.290778D+00 -0.372736D+01  0.279019D+01
      2  -0.184966D+00  0.140993D+01  0.128135D+00 -0.120304D+01 -0.258547D+01
      3  -0.248912D+01  0.407122D+01  0.575492D+00  0.900478D+00 -0.305232D+01
               161           162           163           164           165 
      1   0.116646D+01  0.467782D+01 -0.127202D+01 -0.577656D+00  0.132184D+01
      2  -0.433615D+00  0.202996D+01 -0.556157D+01  0.730263D+00  0.519654D+01
      3  -0.142754D+01 -0.176311D+01 -0.120436D+01 -0.387673D+01  0.689780D+00
               166           167           168           169           170 
      1  -0.322865D+00 -0.154853D+00 -0.201654D+01  0.271316D+01  0.113000D+01
      2   0.162793D+01 -0.298971D+01 -0.438325D+01  0.477100D+01 -0.863289D+01
      3  -0.472324D+01  0.200637D+01  0.286824D+01  0.345800D+01  0.563704D+01
               171           172           173           174           175 
      1  -0.707701D+01  0.180285D+01 -0.138540D+01  0.173010D+01 -0.242477D+01
      2  -0.220895D+02  0.633496D+01 -0.241806D+01  0.467733D+01 -0.286967D+01
      3   0.408535D+01  0.230025D+01 -0.722821D+01  0.133289D+00 -0.505019D+01
               176           177           178           179           180 
      1   0.411459D+01 -0.465388D+01  0.164283D+01 -0.213037D+01  0.281125D+01
      2   0.715635D+01 -0.529167D+01  0.400125D+01 -0.629010D+01  0.385745D+01
      3   0.151201D+02 -0.374726D+01 -0.286790D+01 -0.881882D+01  0.359143D+01
               181           182           183           184           185 
      1   0.266158D+00 -0.610806D+00 -0.183183D+00  0.830568D-01  0.498939D+00
      2  -0.365397D+01  0.608642D+00  0.932693D+01 -0.412789D+00 -0.312287D+01
      3   0.565913D+01 -0.864239D+01 -0.921981D+00 -0.191999D+01  0.449308D+01
               186           187           188           189           190 
      1  -0.100011D+01 -0.428179D+00  0.109652D+01 -0.177691D+00  0.335914D+01
      2  -0.148138D+00  0.584609D+01  0.432595D+00 -0.720512D+00  0.238742D+01
      3   0.332915D+01  0.581323D+00  0.413919D+01 -0.642809D+00 -0.894468D+01
               191           192           193           194           195 
      1   0.505556D+01 -0.524311D+00  0.538322D+01  0.713412D+01  0.114849D+00
      2   0.447784D+00  0.626450D+01  0.333418D-01  0.482660D+01  0.716050D+01
      3  -0.115507D+02 -0.370030D+01 -0.102172D+02 -0.185547D+02 -0.916694D+01
               196           197           198           199           200 
      1   0.105770D+01  0.291411D+01  0.629426D+00 -0.232550D+01  0.323323D+01
      2   0.231113D+01  0.285612D+01  0.338189D+01  0.522820D+01 -0.149443D+01
      3  -0.181260D+01 -0.528501D+01 -0.380319D+01  0.256918D+01 -0.610870D+01
               201           202           203           204           205 
      1  -0.182764D+01  0.279963D+01 -0.980241D+01  0.503434D+01 -0.209540D+01
      2   0.477884D+01 -0.124643D+01  0.895504D+01 -0.136758D+02  0.101264D+01
      3   0.321833D+01 -0.338808D+01  0.149751D+02 -0.102422D+02  0.247632D+01
               206           207           208           209           210 
      1   0.767462D+01 -0.540706D+01 -0.171784D+01 -0.263634D+01  0.131212D+01
      2  -0.758725D+01  0.128633D+02  0.201977D+02 -0.342385D+01 -0.811143D+01
      3  -0.882991D+01  0.842220D+01 -0.881262D+01  0.358381D+01  0.393738D+01
               211           212           213           214           215 
      1  -0.141427D+01  0.237508D+00 -0.434783D-01  0.851496D+00  0.202692D+01
      2  -0.271969D+01  0.488639D+01  0.214255D+01 -0.819473D+01  0.103202D+01
      3   0.471506D+01 -0.274462D+01 -0.334219D+01  0.252223D+01 -0.196529D+01
               216           217           218           219           220 
      1  -0.355594D+00 -0.178048D+01  0.148622D+01  0.279206D+01 -0.174852D+00
      2   0.503974D+01 -0.665397D+01  0.238793D+01 -0.124780D+01  0.317461D+01
      3  -0.134074D+01 -0.217742D+02  0.690487D+01  0.353611D+00  0.612693D+01
               221           222           223           224           225 
      1  -0.234967D+01 -0.998619D+00  0.185549D+01  0.560267D+00  0.433762D-01
      2   0.174058D-01 -0.470206D+00 -0.302665D+01 -0.245783D+00 -0.172327D+01
      3  -0.687857D+01 -0.663470D+00  0.191190D+01 -0.277348D+01 -0.158362D+01
               226           227           228           229           230 
      1   0.119946D+01 -0.624400D+00 -0.129466D+01 -0.285715D+00  0.171367D+01
      2  -0.421492D+01 -0.158403D+00  0.286013D+01 -0.383054D+00 -0.183531D+01
      3  -0.243309D+01 -0.229786D+01 -0.880218D+00 -0.246956D+00  0.118196D+01
               231           232           233           234           235 
      1   0.191360D+01 -0.139975D+01  0.473118D+01  0.158034D+02 -0.419724D+01
      2  -0.465581D+01 -0.826810D+00  0.100050D+01 -0.309666D+02  0.359152D+01
      3   0.183534D+01 -0.123764D+01  0.478764D+01 -0.173546D+01 -0.690638D+01
               236           237           238           239           240 
      1  -0.448766D+01 -0.320186D+01 -0.546660D+01 -0.839890D+01 -0.405145D+01
      2   0.261150D+01  0.542117D+01  0.359254D+01  0.412946D+01  0.378561D+01
      3  -0.113172D+02  0.118179D+01 -0.634164D+01 -0.210160D+02  0.606946D-01
               241           242           243           244           245 
      1  -0.227630D+01 -0.177373D+01 -0.904757D+00  0.202701D+00 -0.365321D+00
      2   0.336935D+01  0.288520D+01  0.305889D+00 -0.545275D+01  0.143990D+00
      3  -0.812532D+00 -0.541727D+01 -0.131437D+01 -0.284943D+01 -0.168483D+01
               246           247           248           249           250 
      1  -0.800172D+00 -0.647470D-01  0.452493D-01 -0.888097D+00 -0.121612D+01
      2   0.370675D+01  0.411685D+00 -0.264377D+01  0.415664D+01  0.103986D+01
      3  -0.498736D+00 -0.543646D+00 -0.108474D+01  0.276105D+01 -0.123191D+01
               251           252           253           254           255 
      1   0.279989D+01  0.304020D+01 -0.226001D+01  0.912536D+00 -0.223004D+01
      2   0.356732D+01 -0.181595D+02  0.154685D+02  0.377020D+01  0.643280D+01
      3   0.382057D+01 -0.207448D+01 -0.166577D+02 -0.147353D+02 -0.419109D-01
               256           257           258           259           260 
      1  -0.151775D+01 -0.604127D+01 -0.373904D+01 -0.750871D+00  0.961910D+00
      2   0.483394D+01  0.475795D+01  0.630705D+01  0.447382D+01  0.545289D+01
      3  -0.609004D+01  0.209187D+02 -0.353454D+01  0.140895D+01 -0.620405D+01
               261           262           263           264           265 
      1   0.858478D+01  0.912417D+00 -0.136558D+01  0.612947D+00 -0.264383D+01
      2  -0.180458D+02 -0.662545D+00  0.283923D+00  0.103268D+01 -0.122634D-01
      3  -0.475370D+01  0.291938D+01 -0.419801D+01 -0.168641D+01 -0.388380D+01
               266           267           268           269           270 
      1   0.935502D+01 -0.202675D+01  0.429007D+00 -0.105956D+01  0.106027D+01
      2  -0.377709D+01 -0.517861D+01  0.248733D+00 -0.165259D+01 -0.935945D+00
      3   0.284557D+02  0.576026D+01  0.130342D+01 -0.473558D+01  0.155404D+01
               271           272           273           274           275 
      1   0.120878D+01  0.563755D+00 -0.220731D+01  0.781174D+00  0.625089D+00
      2  -0.818540D+01 -0.199990D+00  0.812237D+01 -0.628621D+00 -0.135762D+01
      3   0.152598D+02 -0.618353D+01 -0.116366D+01 -0.360574D+01 -0.488336D+00
               276           277           278           279           280 
      1  -0.163584D+00 -0.194613D+01  0.642802D+00 -0.375357D-01  0.132698D+01
      2  -0.685812D+00  0.434644D+01 -0.191761D+00 -0.391241D+00 -0.109569D+01
      3   0.860606D+00 -0.172419D+01  0.195483D+01  0.180076D+01 -0.451783D+01
               281           282           283           284           285 
      1  -0.752564D+00  0.156336D+01 -0.353239D+00  0.503535D+01 -0.420047D+01
      2  -0.964100D+00 -0.123833D+01 -0.810682D+00  0.664462D-01  0.314063D+01
      3   0.785282D+01 -0.145522D+00  0.504608D+01 -0.302446D+02  0.473403D+00
               286           287           288           289           290 
      1   0.602631D+00 -0.952093D+00  0.408919D+00 -0.169288D+01 -0.563634D+00
      2  -0.153764D+01  0.236515D+01  0.522521D+00  0.415485D+01  0.371468D-02
      3  -0.115498D+01  0.390327D+01 -0.260924D+01  0.154977D+01  0.844933D+00
               291           292           293           294           295 
      1   0.441340D+00 -0.186986D+00 -0.214528D+01  0.993030D+00 -0.172410D+00
      2  -0.189264D+01  0.144207D+01  0.193299D+01 -0.330900D+01 -0.210338D+01
      3   0.108991D+01  0.799390D+00  0.531602D+00 -0.165822D+01  0.150499D+01
               296           297 
      1   0.358914D+01 -0.109893D+02
      2  -0.140039D+00  0.245382D+02
      3  -0.454363D+01  0.100752D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.821385D+00 -0.855254D+01  0.203957D+02  0.128891D+02 -0.190347D+01
      2   0.779954D+01  0.341175D+01 -0.757903D+01 -0.382897D+01  0.267280D+01
      3  -0.697815D+01  0.514079D+01 -0.128167D+02 -0.906017D+01 -0.769330D+00
      4  -0.151157D+01  0.185836D+01 -0.960298D+00  0.817061D+01  0.510763D+01
      5   0.213744D+02  0.164644D+00 -0.795571D+01 -0.942360D+01 -0.339409D+01
      6  -0.511205D+00 -0.329887D+01  0.106674D+01 -0.852789D+00  0.393774D+01
                 6             7             8             9            10 
      1  -0.180758D+02 -0.222541D+02 -0.928905D+01  0.336368D+01  0.483066D+02
      2   0.251460D+01  0.428369D+01  0.197733D+01  0.404961D+01 -0.243431D+02
      3   0.155612D+02  0.179704D+02  0.731172D+01 -0.741330D+01 -0.239636D+02
      4  -0.414728D+01  0.440611D+01 -0.232294D+01 -0.449346D+01 -0.110809D+02
      5  -0.220245D+01  0.103115D+02 -0.383695D+01  0.546803D+01 -0.947365D+01
      6   0.126275D+02 -0.647126D+01  0.638074D+01  0.148260D+02  0.341806D+01
                11            12            13            14            15 
      1   0.810242D+01 -0.150924D+01  0.111723D+02 -0.382135D+01  0.594232D+01
      2  -0.810096D+01  0.379332D+01 -0.131879D+02  0.707648D+01 -0.130891D+01
      3  -0.145455D-02 -0.228408D+01  0.201559D+01 -0.325513D+01 -0.463341D+01
      4   0.744242D+00 -0.352381D+01  0.129133D+02 -0.956337D+01 -0.366190D+00
      5  -0.412197D+01  0.908020D+01  0.144452D+02  0.467662D+00 -0.377294D+01
      6   0.104113D+01 -0.718284D+01 -0.425945D+01  0.475457D+01  0.948889D+01
                16            17            18            19            20 
      1  -0.658157D+01  0.572252D+01 -0.186919D+02 -0.212483D+01  0.453113D+01
      2  -0.265386D+01  0.528439D+01  0.264978D+01 -0.280048D+01 -0.177185D+01
      3   0.923543D+01 -0.110069D+02  0.160421D+02  0.492531D+01 -0.275928D+01
      4   0.151509D+02  0.567734D+00 -0.384795D+01  0.329446D+01 -0.323902D-01
      5  -0.147589D+02 -0.354638D+01 -0.353544D+01 -0.176898D+02  0.293873D+01
      6  -0.560469D+01  0.160376D+01 -0.404372D+01  0.364804D+01  0.528262D+01
                21            22            23            24            25 
      1  -0.245091D+02 -0.995311D+01 -0.569275D+01 -0.494982D+01  0.224003D+02
      2   0.634963D+01 -0.156813D+01  0.619437D+01 -0.319286D+00 -0.599782D-01
      3   0.181594D+02  0.115212D+02 -0.501625D+00  0.526910D+01 -0.223403D+02
      4   0.327525D+01  0.313515D+01 -0.114576D+01  0.321945D+01  0.435004D+01
      5  -0.748603D+00  0.147406D+01  0.122271D+01  0.680661D+01  0.137570D+02
      6   0.604613D+01  0.287444D+01  0.217034D+01  0.774943D+01  0.103747D+02
                26            27            28            29            30 
      1  -0.838852D+01  0.656853D+01  0.167179D+02 -0.161902D+01  0.169900D+01
      2   0.119184D+01 -0.271663D+01 -0.238547D+01  0.600345D+01  0.610001D+00
      3   0.719668D+01 -0.385190D+01 -0.143324D+02 -0.438443D+01 -0.230900D+01
      4   0.315825D+01  0.656854D+01  0.248827D+02  0.159418D+01 -0.213259D+01
      5   0.507702D+01 -0.534301D+01  0.448933D+01 -0.162463D+01  0.638818D+01
      6   0.204555D+01  0.103913D+02  0.339638D+01 -0.127831D+01  0.477506D+01
                31            32            33            34            35 
      1  -0.383188D+00 -0.162146D+01  0.667333D+01 -0.695517D+01  0.916417D+01
      2   0.630431D+01  0.476440D+01 -0.207893D+01  0.123885D+01  0.316396D+01
      3  -0.592112D+01 -0.314293D+01 -0.459439D+01  0.571632D+01 -0.123281D+02
      4   0.134964D+02  0.448514D+00  0.191501D+01  0.112949D+02  0.545065D+01
      5   0.114026D+02  0.940840D+00  0.820658D+00 -0.176472D+02  0.204833D+01
      6  -0.700586D+00  0.390803D+01  0.582960D+01 -0.149040D+01  0.113741D+01
                36            37            38            39            40 
      1  -0.170711D+02  0.589259D+01 -0.139240D+02  0.211756D+02  0.417781D+01
      2   0.288428D+01  0.877220D+00  0.135299D+02 -0.125616D+02  0.432381D+01
      3   0.141868D+02 -0.676981D+01  0.394061D+00 -0.861401D+01 -0.850162D+01
      4   0.648328D+00 -0.101157D+02 -0.143173D+01  0.359215D+01  0.155173D+02
      5  -0.896561D+00  0.107155D+02  0.244291D+01 -0.109370D+02 -0.283322D+01
      6  -0.733587D+01 -0.824606D+00 -0.609088D+01  0.660558D+01 -0.219569D+00
                41            42            43            44            45 
      1  -0.105339D+02 -0.657438D+01 -0.179937D+02 -0.415533D+01  0.694019D+01
      2   0.172291D+02 -0.105279D+02  0.125753D+01 -0.373800D+01 -0.890444D+00
      3  -0.669521D+01  0.171023D+02  0.167362D+02  0.789333D+01 -0.604975D+01
      4   0.643439D+01 -0.257094D+01 -0.392035D+01 -0.217132D+01 -0.604524D+01
      5  -0.144152D+01 -0.115111D+01  0.649278D+01 -0.530636D+01  0.836921D+01
      6  -0.685617D+01  0.518336D+01 -0.944217D+01  0.123890D+01  0.849775D+01
                46            47            48            49            50 
      1  -0.558936D+01  0.111820D+02 -0.236119D+02 -0.254179D+01 -0.144805D+02
      2   0.163550D+01 -0.908634D+01  0.733795D+01 -0.655394D+01  0.240098D+02
      3   0.395385D+01 -0.209565D+01  0.162739D+02  0.909572D+01 -0.952936D+01
      4   0.115613D+02  0.157698D-01  0.511973D+01  0.871263D+01 -0.667629D+01
      5  -0.105989D+02  0.540318D+01 -0.108331D+01  0.935431D+01  0.236822D+01
      6   0.405809D+01  0.474447D+01 -0.534033D+01 -0.181429D+01 -0.603886D+01
                51            52            53            54            55 
      1   0.612933D+01  0.350752D+02 -0.291726D+01  0.102833D+02 -0.280805D+02
      2  -0.117838D+02 -0.105809D+02 -0.118587D+01 -0.649947D+01  0.131788D+02
      3   0.565446D+01 -0.244942D+02  0.410313D+01 -0.378387D+01  0.149018D+02
      4   0.107924D+01 -0.456486D+01  0.244893D+00  0.714484D+01 -0.839187D+01
      5   0.727772D+01  0.517757D+01  0.659038D+01 -0.427224D+01 -0.523987D+01
      6   0.383039D+01  0.110780D+02 -0.289660D+01  0.666572D+01  0.126439D+01
                56            57            58            59            60 
      1  -0.106732D+02 -0.581712D+01 -0.346863D+02 -0.250986D+02  0.147471D+01
      2   0.750681D+01  0.573496D+00  0.250537D+02  0.591350D+01  0.616400D+01
      3   0.316641D+01  0.524362D+01  0.963269D+01  0.191851D+02 -0.763871D+01
      4  -0.281347D+02  0.103535D+01 -0.467840D+02  0.132834D+02 -0.155987D+02
      5   0.668734D+00 -0.125267D+02 -0.499491D+00 -0.150111D+02  0.133925D+02
      6   0.357047D+00  0.113882D+01  0.200606D+00  0.409494D+01 -0.482122D+01
                61            62            63            64            65 
      1  -0.161723D+02  0.726785D+00 -0.182262D+01 -0.837149D+02  0.303682D+02
      2  -0.165776D+01  0.785516D+01  0.715842D+01  0.456739D+02 -0.136154D+02
      3   0.178300D+02 -0.858195D+01 -0.533580D+01  0.380410D+02 -0.167528D+02
      4  -0.525461D+00 -0.208081D+02  0.252011D+02  0.299872D+02  0.259561D+02
      5  -0.232716D+02  0.219648D+02  0.367035D+02  0.256884D+02 -0.324291D+01
      6   0.110150D+02 -0.484529D+01 -0.113980D+02  0.820790D+00 -0.335952D+01
                66            67            68            69            70 
      1   0.255046D+02  0.616034D+02  0.255722D+02 -0.830621D+01  0.361713D+02
      2  -0.144229D+02 -0.287641D+02 -0.130534D+02  0.869589D+01 -0.145859D+02
      3  -0.110816D+02 -0.328393D+02 -0.125188D+02 -0.389686D+00 -0.215854D+02
      4  -0.192463D+01  0.302615D+02  0.677150D+01  0.246903D+02  0.290948D+01
      5   0.753386D+01 -0.231004D+01  0.259616D+02 -0.218511D+02 -0.179030D+01
      6   0.175872D+01  0.191826D+01  0.723569D+01 -0.504811D+01 -0.304494D+01
                71            72            73            74            75 
      1  -0.406738D+01  0.276414D+01  0.367560D+02 -0.237959D+02 -0.203440D+02
      2   0.835943D+01 -0.259572D+00 -0.191443D+02  0.560369D+01  0.108303D+02
      3  -0.429205D+01 -0.250456D+01 -0.176117D+02  0.181922D+02  0.951374D+01
      4   0.232948D+02 -0.169949D+02 -0.224297D+02 -0.317514D+02 -0.547238D+01
      5  -0.175466D+02 -0.354036D+02 -0.120043D+02 -0.761352D+01 -0.173490D+02
      6  -0.594162D+01 -0.539944D+01 -0.147711D+02 -0.894817D+01 -0.244084D+00
                76            77            78            79            80 
      1  -0.308500D+02 -0.280871D+02 -0.137883D+01 -0.225581D+02  0.127321D+01
      2   0.737217D+01  0.188557D+02 -0.115384D+02  0.107401D+02 -0.113609D+02
      3   0.234778D+02  0.923144D+01  0.129172D+02  0.118180D+02  0.100877D+02
      4  -0.410353D+02 -0.971975D+01 -0.373874D+02 -0.182768D+01 -0.265120D+02
      5  -0.864983D+01 -0.438491D+02  0.222154D+02 -0.983620D+01  0.193969D+02
      6  -0.147736D+02 -0.508526D+01 -0.102093D+02  0.205993D+01 -0.864980D+01
                81            82            83            84            85 
      1  -0.105244D+02  0.351526D+02 -0.220728D+02 -0.131749D+02 -0.315355D+02
      2  -0.134342D+01 -0.354986D+02  0.712315D-01  0.681848D+01  0.172042D+01
      3   0.118678D+02  0.346054D+00  0.220015D+02  0.635643D+01  0.298151D+02
      4   0.169486D+02 -0.191811D+02 -0.397290D+02 -0.638342D+00 -0.415558D+02
      5   0.171077D+02 -0.155711D+02  0.618690D+01 -0.434730D+01  0.461671D+01
      6   0.132622D+02  0.545854D+00  0.454894D+01 -0.288093D+01  0.310121D+01
                86            87            88            89            90 
      1  -0.291878D+02  0.931756D+01 -0.152370D+02  0.278961D+01  0.138916D+01
      2   0.213217D+01 -0.734137D+01  0.198519D+01 -0.782148D+01  0.227080D+02
      3   0.270557D+02 -0.197619D+01  0.132518D+02  0.503186D+01 -0.240971D+02
      4  -0.299771D+02 -0.159644D+02 -0.109403D+02 -0.234020D+02  0.102627D+02
      5  -0.137766D+02  0.211186D+02 -0.275835D+01  0.133071D+02  0.484193D+02
      6  -0.750770D+01  0.111031D+02 -0.119707D+01  0.102997D+02  0.110251D+02
                91            92            93            94            95 
      1   0.100685D+02 -0.518982D+01 -0.224057D+01 -0.140765D+02 -0.155941D+02
      2  -0.853154D+01 -0.161974D+01 -0.558831D+00  0.732965D+01  0.584356D+01
      3  -0.153696D+01  0.680956D+01  0.279940D+01  0.674686D+01  0.975054D+01
      4  -0.215416D+02 -0.157670D+02 -0.822992D+01 -0.383160D+02  0.161136D+02
      5  -0.856912D+01 -0.738215D+01 -0.909372D+01 -0.134667D+02 -0.217656D+01
      6  -0.500184D+01 -0.244845D+01 -0.441763D+01 -0.254560D+01 -0.539547D+01
                96            97            98            99           100 
      1  -0.695282D+01 -0.175614D+02 -0.922851D+01 -0.215237D+01 -0.392483D+01
      2   0.400395D+00  0.955971D+00 -0.136502D+01  0.780375D+01 -0.122735D+00
      3   0.655243D+01  0.166054D+02  0.105935D+02 -0.565138D+01  0.404757D+01
      4  -0.182502D+01 -0.197299D+02 -0.138392D+02 -0.160243D+02  0.130317D+02
      5  -0.136802D+02 -0.152575D+02 -0.150296D+02  0.285791D+02 -0.159677D+02
      6  -0.290126D+01 -0.790967D+01 -0.262084D+01  0.825702D+01  0.567255D+01
               101           102           103           104           105 
      1   0.583293D+01 -0.757190D+01  0.193372D+02  0.262992D+01  0.952781D+01
      2  -0.128230D-01  0.518507D+01 -0.140214D+02  0.328720D+01 -0.264310D+01
      3  -0.582011D+01  0.238683D+01 -0.531580D+01 -0.591711D+01 -0.688471D+01
      4  -0.219991D+01  0.770101D+01 -0.263271D+01 -0.164769D+02 -0.371551D+01
      5   0.685030D+01 -0.224922D+01  0.778522D+01 -0.335664D+01  0.239608D+02
      6  -0.582303D+01  0.569135D+01 -0.178222D+01 -0.106093D+01 -0.157829D+02
               106           107           108           109           110 
      1  -0.231639D+02  0.102959D+02 -0.423801D+01  0.417455D+02 -0.129467D+02
      2   0.802696D+01  0.390175D+01  0.204796D+01 -0.193545D+02  0.373914D+01
      3   0.151370D+02 -0.141976D+02  0.219005D+01 -0.223910D+02  0.920752D+01
      4   0.211263D+02 -0.185606D+02  0.218922D+02 -0.251417D+02  0.205428D+02
      5  -0.185783D+02  0.196957D+02 -0.219423D+02  0.300620D+02 -0.668033D+01
      6   0.113898D+02 -0.181774D+02  0.567966D+01 -0.115644D+02  0.424271D+01
               111           112           113           114           115 
      1   0.231725D+02 -0.157506D+02  0.319506D+01 -0.168643D+01  0.381524D+02
      2  -0.134674D+02  0.243692D+01  0.868695D+01 -0.157121D+01 -0.181845D+02
      3  -0.970511D+01  0.133137D+02 -0.118820D+02  0.325764D+01 -0.199679D+02
      4  -0.107635D+02  0.253376D+02 -0.237695D+02  0.177776D+02 -0.245973D+02
      5   0.214364D+02 -0.122827D+02  0.170217D+02 -0.197431D+02  0.339831D+02
      6  -0.763364D+01  0.624851D+01 -0.120595D+02  0.180321D+02 -0.116082D+02
               116           117           118           119           120 
      1  -0.332694D+01  0.987109D+01 -0.968699D+00 -0.945587D+01 -0.121443D+02
      2  -0.510528D+01 -0.132636D+02 -0.259939D+01  0.118245D+02  0.762828D+01
      3   0.843222D+01  0.339254D+01  0.356809D+01 -0.236868D+01  0.451601D+01
      4   0.320072D+02 -0.194648D+02  0.121900D+01 -0.571506D+01  0.334823D+01
      5  -0.177189D+02  0.557907D+02 -0.753012D+01 -0.123041D+01  0.561829D+01
      6   0.168621D+02 -0.276755D+02  0.371784D+01  0.538002D+01  0.136630D+01
               121           122           123           124           125 
      1  -0.475010D+01 -0.324163D+01 -0.518689D+01 -0.117370D+02 -0.860549D+01
      2   0.129257D+02 -0.186123D+02  0.153179D+01  0.644581D+01  0.765666D+01
      3  -0.817560D+01  0.218539D+02  0.365511D+01  0.529124D+01  0.948832D+00
      4  -0.886902D+01  0.423359D+02 -0.228562D+01  0.120370D+02 -0.163113D+02
      5   0.158548D+01 -0.158114D+01 -0.452017D+01  0.160363D+02 -0.168273D+02
      6   0.307342D+01  0.723894D+00  0.103315D+02 -0.590350D+01  0.202508D+02
               126           127           128           129           130 
      1  -0.103454D+02 -0.592361D-01  0.546765D+00  0.286917D+01 -0.218730D+01
      2  -0.629103D+01 -0.530980D+01 -0.147052D+01  0.563525D+01 -0.518601D+00
      3   0.166365D+02  0.536904D+01  0.923757D+00 -0.850442D+01  0.270590D+01
      4  -0.149436D+02  0.142264D+01  0.250928D+01 -0.623283D+00  0.139647D+01
      5  -0.323608D+02 -0.892769D+01 -0.229985D+01  0.114355D+02 -0.223306D+01
      6   0.232891D+02  0.507521D+00 -0.147271D+01 -0.130582D+01 -0.123955D+01
               131           132           133           134           135 
      1  -0.291834D+01  0.708778D+01  0.343920D+01  0.392085D+01 -0.221275D+02
      2  -0.536301D+00  0.313455D+01  0.713218D+01  0.231239D+01 -0.157226D+02
      3   0.345464D+01 -0.102223D+02 -0.105714D+02 -0.623324D+01  0.378501D+02
      4   0.103742D+01 -0.145667D+01 -0.212994D+01 -0.346536D+01  0.236327D+01
      5  -0.252279D+01  0.351284D+01  0.123380D+02  0.409086D+01 -0.196924D+02
      6  -0.256647D+01  0.160335D+01  0.458755D+00  0.522990D+01 -0.123752D+01
               136           137           138           139           140 
      1   0.325191D+01  0.338240D+00 -0.192118D+01  0.771570D+00 -0.183191D+01
      2  -0.546268D+01  0.903021D+00 -0.417030D+01  0.204886D+01 -0.268585D+00
      3   0.221076D+01 -0.124126D+01  0.609148D+01 -0.282043D+01  0.210050D+01
      4  -0.175076D+01  0.363963D+01 -0.992529D+00  0.242014D+01 -0.284128D+01
      5   0.105645D+02 -0.291050D+01  0.956543D+01 -0.449552D+01  0.330261D+01
      6  -0.401070D+00  0.170674D+01 -0.106527D+01  0.745274D+00 -0.283592D+01
               141           142           143           144           145 
      1   0.492805D+01 -0.290636D+01  0.401519D+01 -0.120853D+02 -0.286538D+01
      2   0.253777D+01 -0.552353D+01  0.118502D+01 -0.835754D+01 -0.266606D+01
      3  -0.746582D+01  0.842990D+01 -0.520022D+01  0.204428D+02  0.553144D+01
      4   0.118375D+01 -0.204584D+01  0.298840D+01 -0.210390D+01  0.514752D+01
      5  -0.593796D+01  0.119813D+02 -0.435550D+01  0.147784D+02 -0.868841D+01
      6   0.212069D+01 -0.196851D+01  0.487881D+01 -0.359143D+01 -0.581793D+01
               146           147           148           149           150 
      1  -0.168932D+01  0.565001D+01 -0.235822D+01 -0.459839D+01  0.871441D+01
      2   0.182490D+00  0.296081D+01 -0.473414D+00  0.102624D+01  0.581298D+00
      3   0.150683D+01 -0.861082D+01  0.283164D+01  0.357214D+01 -0.929571D+01
      4   0.368954D+01 -0.541628D+01  0.206707D+01  0.173648D+01 -0.268805D+01
      5  -0.330487D+01  0.114274D+02 -0.294466D+01 -0.234343D+01  0.353385D+01
      6  -0.345361D+01  0.635897D+01 -0.277585D+01 -0.524200D+01  0.886061D+01
               151           152           153           154           155 
      1   0.735042D+01  0.109265D+02 -0.287863D+02  0.295022D+01  0.252520D+01
      2   0.191106D+01 -0.316239D+01 -0.526713D+01 -0.209463D+01 -0.308663D+01
      3  -0.926148D+01 -0.776409D+01  0.340534D+02 -0.855588D+00  0.561434D+00
      4  -0.597036D+01 -0.509256D+01  0.800965D+01 -0.106739D+02  0.818469D+01
      5   0.105087D+02  0.501195D+01 -0.164543D+02  0.153580D+02 -0.580690D+01
      6   0.858668D+01  0.131072D+02 -0.240146D+02 -0.858979D+01  0.618453D+01
               156           157           158           159           160 
      1  -0.128080D+01  0.898849D-01 -0.384713D+01  0.486732D+01 -0.377125D+01
      2  -0.130115D+01  0.500868D+00  0.226313D+01 -0.274945D+00 -0.138746D+01
      3   0.258194D+01 -0.590753D+00  0.158401D+01 -0.459238D+01  0.515871D+01
      4  -0.818276D+01  0.583053D+01 -0.620475D+01  0.627326D+01 -0.877297D+01
      5   0.134833D+02 -0.773594D+01  0.540364D+01 -0.877871D+01  0.147029D+02
      6  -0.859194D+01  0.591575D+01 -0.665811D+01  0.898877D+01 -0.103686D+02
               161           162           163           164           165 
      1   0.787532D+01 -0.133579D+02  0.848328D+01 -0.220800D+01 -0.800584D+01
      2  -0.455232D+01 -0.124514D+01 -0.735473D+01  0.655494D+00  0.602566D+01
      3  -0.332300D+01  0.146030D+02 -0.112854D+01  0.155250D+01  0.198018D+01
      4   0.781123D+01 -0.105059D+02 -0.542792D+01  0.959168D+01  0.627843D+01
      5  -0.781835D+01  0.192594D+02 -0.146788D+02  0.458610D+01  0.155232D+02
      6   0.120745D+02 -0.180500D+02  0.429439D+01 -0.175580D+01 -0.296222D+01
               166           167           168           169           170 
      1   0.441296D+01  0.926868D+00 -0.273023D+01 -0.153334D+02 -0.440309D+01
      2  -0.332882D+01  0.641427D+00  0.115457D+01  0.136588D+02  0.624935D+00
      3  -0.108414D+01 -0.156829D+01  0.157567D+01  0.167461D+01  0.377815D+01
      4   0.112036D+02 -0.911043D+01 -0.838595D+01  0.124333D+02 -0.143719D+02
      5   0.424593D+01 -0.848802D+01 -0.872339D+01  0.275363D+02 -0.182020D+02
      6  -0.304410D+01  0.601266D+01  0.916123D+01 -0.927774D+01  0.119236D+02
               171           172           173           174           175 
      1  -0.462173D+01  0.194844D+02 -0.970555D+01  0.595514D+01 -0.111963D+02
      2  -0.118262D+02 -0.376355D+01 -0.486718D+00 -0.161456D+01 -0.363726D+01
      3   0.164479D+02 -0.157208D+02  0.101923D+02 -0.434058D+01  0.148336D+02
      4  -0.214443D+02 -0.216973D+02  0.251110D+02 -0.526819D+01  0.323578D+02
      5  -0.492147D+02  0.803246D+01 -0.324156D+01  0.725722D+01 -0.422336D+01
      6   0.193069D+02 -0.256150D+01  0.154408D+00 -0.165901D+01  0.160386D+01
               176           177           178           179           180 
      1   0.356117D+01 -0.379667D+00  0.175924D+02 -0.619489D+00  0.218578D+01
      2   0.178104D+02 -0.415315D+01 -0.446869D+01 -0.686174D+01  0.226286D+00
      3  -0.213716D+02  0.453281D+01 -0.131238D+02  0.748123D+01 -0.241207D+01
      4  -0.455945D+02  0.110002D+02 -0.147360D+02  0.226517D+02 -0.130954D+02
      5   0.979844D+01 -0.840923D+01  0.957148D+01 -0.114036D+02  0.688321D+01
      6  -0.344799D+01  0.528510D+01 -0.397767D+01  0.574930D+01 -0.361944D+01
               181           182           183           184           185 
      1   0.138448D+03 -0.174651D+02 -0.176288D+02 -0.264368D+02  0.133288D+02
      2  -0.705728D+02  0.912621D+01  0.880347D+01  0.130863D+02 -0.482833D+01
      3  -0.678751D+02  0.833890D+01  0.882537D+01  0.133506D+02 -0.850048D+01
      4  -0.139721D+02  0.137693D+02  0.186647D+01  0.171344D+02 -0.854650D+01
      5  -0.211280D+02  0.260357D+01  0.171350D+02  0.277297D+01 -0.640257D+01
      6   0.100414D+01 -0.126404D+01  0.124274D+01 -0.152631D+01  0.221417D-01
               186           187           188           189           190 
      1   0.315017D+01 -0.208720D+02  0.223929D+01  0.161825D+02  0.338391D+02
      2  -0.216938D+01  0.119177D+02 -0.208984D+01 -0.102099D+02 -0.151593D+02
      3  -0.980791D+00  0.895433D+01 -0.149449D+00 -0.597254D+01 -0.186798D+02
      4  -0.591136D+01  0.730167D+00 -0.563884D+01 -0.473034D+00  0.324346D+02
      5  -0.969118D+00  0.230585D+02 -0.751228D+00 -0.515397D+01  0.267991D+02
      6   0.249765D+01 -0.508613D-01  0.268142D+01  0.840866D+00  0.119543D+02
               191           192           193           194           195 
      1   0.203487D+02  0.134385D+02  0.263026D+02  0.157745D+02  0.665449D+01
      2  -0.559544D+01 -0.950457D+01 -0.786196D+01  0.138962D+01 -0.385910D+01
      3  -0.147532D+02 -0.393393D+01 -0.184406D+02 -0.171641D+02 -0.279538D+01
      4   0.306870D+02  0.132930D+02  0.386666D+02  0.453626D+02  0.228255D+02
      5   0.164063D+02  0.217759D+02  0.243901D+02  0.265459D+02  0.214836D+02
      6   0.112372D+02  0.783888D+01  0.146433D+02  0.192884D+02  0.143216D+02
               196           197           198           199           200 
      1   0.821964D+01  0.226094D+01  0.670645D+01  0.106266D+02 -0.633110D+01
      2  -0.665719D+01 -0.202409D+01 -0.591182D+01 -0.865294D+01  0.561235D+01
      3  -0.156244D+01 -0.236846D+00 -0.794627D+00 -0.197367D+01  0.718756D+00
      4   0.976166D+01  0.121304D+02  0.113570D+02 -0.709203D+01  0.129785D+02
      5   0.180635D+02  0.119477D+02  0.143550D+02  0.162216D+02 -0.800086D+01
      6   0.694247D+01  0.996815D+01  0.727548D+01 -0.150219D+01  0.436521D+01
               201           202           203           204           205 
      1   0.116489D+02 -0.124620D+02  0.694041D+01 -0.421141D+01  0.106698D+02
      2  -0.103104D+02  0.109419D+02 -0.855197D+01  0.142038D+02 -0.109701D+02
      3  -0.133856D+01  0.152005D+01  0.161156D+01 -0.999239D+01  0.300268D+00
      4  -0.584935D+01  0.141337D+02 -0.282358D+02  0.219020D+02 -0.586167D+01
      5   0.174721D+02 -0.163138D+02  0.247026D+02 -0.324531D+02  0.185015D+02
      6  -0.189195D+01  0.526990D+01 -0.126205D+02  0.961950D+01 -0.247876D+01
               206           207           208           209           210 
      1  -0.173728D+01  0.237897D+01 -0.470134D+02  0.916081D+01  0.135687D+02
      2   0.948772D+01 -0.170094D+02  0.229869D+02 -0.527575D+01 -0.185961D+01
      3  -0.775044D+01  0.146305D+02  0.240265D+02 -0.388506D+01 -0.117091D+02
      4   0.164840D+02 -0.169857D+02 -0.427779D+01 -0.327257D+01 -0.143062D+01
      5  -0.186568D+02  0.330552D+02 -0.102562D+02 -0.149836D+01 -0.781531D+01
      6   0.982966D+01 -0.766369D+01  0.557506D+01 -0.541124D+01 -0.651050D+01
               211           212           213           214           215 
      1   0.773197D+01 -0.757765D+01 -0.560849D+01  0.102617D+02 -0.346955D+01
      2  -0.366339D+01  0.453654D+01  0.341487D+01 -0.223313D+01  0.181528D+01
      3  -0.406858D+01  0.304111D+01  0.219362D+01 -0.802855D+01  0.165426D+01
      4   0.165519D+01  0.283248D+01  0.539466D+01  0.272284D+00  0.368735D+01
      5   0.515593D+00  0.458760D+01  0.536756D+00  0.192140D+01 -0.119473D+01
      6  -0.212134D+01  0.377260D+01  0.501689D+01 -0.339298D+01  0.408589D+01
               216           217           218           219           220 
      1  -0.931530D+01 -0.386341D+02  0.161765D+02  0.155025D+01  0.170686D+02
      2   0.703961D+00  0.273578D+02 -0.148161D+02 -0.210937D+01 -0.100285D+02
      3   0.861134D+01  0.112763D+02 -0.136036D+01  0.559116D+00 -0.704006D+01
      4  -0.119967D+01 -0.891995D+01 -0.204911D+01  0.284113D+01  0.106610D+02
      5   0.325109D+01  0.106760D+02 -0.420907D+00 -0.598540D+01 -0.461994D+01
      6   0.216087D+01 -0.149069D+00  0.278782D+01 -0.476404D+01 -0.174607D+00
               221           222           223           224           225 
      1  -0.595196D+01 -0.992537D+00  0.552365D+01 -0.354312D+01 -0.543506D+01
      2   0.108576D+02  0.940587D+00 -0.358151D+01  0.426772D+01  0.299592D+00
      3  -0.490562D+01  0.519502D-01 -0.194215D+01 -0.724594D+00  0.513547D+01
      4   0.882929D+01 -0.365430D+00  0.780441D+00  0.346941D+01 -0.110681D+01
      5   0.885418D+00  0.343063D+00 -0.125394D+01  0.295671D+00 -0.300994D+01
      6  -0.198308D+01  0.129910D+01 -0.226015D+01  0.135547D+01 -0.542229D+00
               226           227           228           229           230 
      1   0.801075D+00  0.240449D+01 -0.779304D+01 -0.978184D+00  0.346548D+00
      2  -0.227484D+01  0.159971D+00  0.623170D+01  0.239075D+01 -0.122185D+01
      3   0.147377D+01 -0.256446D+01  0.156134D+01 -0.141256D+01  0.875299D+00
      4   0.313690D+01  0.642940D+01 -0.254687D+01  0.430999D+01  0.894694D-01
      5  -0.968637D+01 -0.124456D+01  0.128954D+02  0.116277D+01 -0.506528D+01
      6  -0.240576D+01 -0.122799D+01  0.168188D+01 -0.732460D+00  0.775402D-01
               231           232           233           234           235 
      1  -0.114619D-01 -0.883219D+01  0.224396D+01 -0.128012D+02  0.259693D+02
      2  -0.461567D+01  0.851351D+01 -0.402972D+01 -0.242488D+02 -0.483087D+00
      3   0.462713D+01  0.318683D+00  0.178575D+01  0.370500D+02 -0.254862D+02
      4  -0.423817D+01 -0.535480D+01 -0.910561D+01  0.427905D+01  0.387253D+02
      5  -0.991706D+01  0.167364D+02  0.372921D+01 -0.668266D+02 -0.338708D+01
      6   0.318560D+01  0.428781D+01  0.790852D+01 -0.241163D+02 -0.286392D+01
               236           237           238           239           240 
      1   0.189762D+02  0.209494D+01  0.191811D+02  0.107328D+02 -0.308693D+00
      2   0.577700D+01  0.139371D+00  0.703806D+01  0.255942D+02  0.129770D+01
      3  -0.247532D+02 -0.223431D+01 -0.262192D+02 -0.363270D+02 -0.989008D+00
      4   0.430017D+02 -0.101852D+01  0.455596D+02  0.651053D+02 -0.826737D+00
      5  -0.494922D+01  0.937724D+01 -0.548326D+01 -0.424120D+01  0.705724D+01
      6  -0.457291D+01  0.534803D+01 -0.460297D+01 -0.765541D+01  0.627308D+01
               241           242           243           244           245 
      1   0.718913D+01  0.211820D+01  0.326027D+01  0.976269D+00  0.332131D+01
      2   0.181300D+00  0.504642D+01 -0.138470D+01 -0.409650D+01 -0.147305D+01
      3  -0.737043D+01 -0.716461D+01 -0.187557D+01  0.312023D+01 -0.184826D+01
      4   0.877025D+01  0.137855D+02  0.695387D+01  0.587935D+01  0.534517D+01
      5   0.692658D+01  0.546882D+01 -0.119738D+01 -0.111615D+02 -0.121945D+01
      6   0.395515D+01  0.436002D+01  0.485904D+00 -0.338599D+01 -0.364244D+00
               246           247           248           249           250 
      1  -0.634726D+01  0.408844D+01  0.349477D-01  0.211178D+01 -0.815845D+01
      2   0.496134D+01 -0.177609D+01  0.712986D-01 -0.442368D+00  0.854803D+01
      3   0.138592D+01 -0.231235D+01 -0.106246D+00 -0.166941D+01 -0.389586D+00
      4  -0.222018D+01  0.899780D+01  0.438899D+01 -0.685748D+01 -0.427788D+01
      5   0.118505D+02 -0.182459D+01 -0.692210D+01  0.859742D+01  0.168452D+02
      6   0.204195D+01 -0.155895D+01 -0.377171D+01  0.685057D+01  0.316540D+01
               251           252           253           254           255 
      1   0.227828D+01 -0.566109D+01 -0.815409D+02 -0.828806D+01  0.978476D+01
      2   0.588154D+00 -0.129429D+02  0.418989D+02  0.131131D+02 -0.602024D+01
      3  -0.286644D+01  0.186040D+02  0.396420D+02 -0.482505D+01 -0.376451D+01
      4  -0.102399D+02  0.904580D+01 -0.141508D+02  0.252517D+02  0.928265D+01
      5   0.761781D+01 -0.396813D+02  0.125672D+02  0.587072D+01  0.105933D+02
      6   0.623561D+01 -0.113526D+02  0.923744D+01  0.409010D+01  0.413971D+01
               256           257           258           259           260 
      1   0.147941D+02  0.352417D+02  0.634557D+00  0.281843D+02  0.173463D+01
      2  -0.463194D+00 -0.358354D+02 -0.300601D+00 -0.102914D+02  0.349464D+01
      3  -0.143309D+02  0.593775D+00 -0.333957D+00 -0.178929D+02 -0.522928D+01
      4   0.343683D+02 -0.159258D+02  0.110964D+02  0.208766D+02  0.185064D+02
      5   0.112105D+02  0.138868D+02  0.131862D+02  0.160249D+02  0.119039D+02
      6   0.698501D+01  0.406366D+01  0.691836D+01  0.797369D+01  0.738098D+01
               261           262           263           264           265 
      1   0.129858D+02  0.334997D+01 -0.617952D+01 -0.132583D+01 -0.320636D+01
      2   0.596346D+01  0.369238D+01 -0.323090D+01 -0.353196D+00 -0.819862D+01
      3  -0.189492D+02 -0.704236D+01  0.941042D+01  0.167902D+01  0.114050D+02
      4   0.152733D+02 -0.125142D+02  0.191583D+02  0.395762D+01  0.236018D+02
      5  -0.262430D+02 -0.445975D+01  0.529560D+01  0.343959D+01  0.615466D+01
      6  -0.790761D+01  0.335600D+01 -0.389662D+01 -0.147740D+01 -0.533142D+01
               266           267           268           269           270 
      1  -0.146064D+02 -0.406561D+01  0.411181D+00  0.392861D+00 -0.178072D+01
      2   0.420579D+02  0.593018D+01  0.238134D+01 -0.759337D+01  0.184598D+01
      3  -0.274515D+02 -0.186457D+01 -0.279252D+01  0.720051D+01 -0.652584D-01
      4  -0.621074D+02 -0.122737D+02 -0.365444D+01  0.957591D+01 -0.326690D+01
      5  -0.144051D+02 -0.108659D+02  0.179154D+01 -0.308180D+01 -0.268161D+01
      6   0.183561D+02  0.896436D+01 -0.107667D+01  0.395987D+01  0.204842D+01
               271           272           273           274           275 
      1   0.127064D+03  0.114539D+02 -0.496201D+01 -0.500668D+01  0.642112D+01
      2  -0.598041D+02 -0.156983D+01  0.196959D+01  0.521672D+01 -0.119731D+00
      3  -0.672596D+02 -0.988411D+01  0.299242D+01 -0.210043D+00 -0.630139D+01
      4   0.454511D+02  0.192500D+02 -0.295197D+00  0.116138D+02  0.562616D+01
      5   0.311302D+01  0.114879D+01  0.132189D+02 -0.740442D+00 -0.175430D+01
      6  -0.127011D+01  0.126413D+01  0.401112D+01  0.918105D-01 -0.844081D-01
               276           277           278           279           280 
      1   0.242985D+00 -0.178809D+02 -0.162593D+01  0.927887D+01  0.910643D+00
      2  -0.311546D+00  0.778918D+01 -0.574848D+00 -0.664276D+01  0.255615D+01
      3   0.685616D-01  0.100917D+02  0.220078D+01 -0.263611D+01 -0.346679D+01
      4  -0.194392D+01 -0.802628D+01 -0.541648D+01  0.232785D+01  0.325211D+01
      5  -0.141703D+01  0.132250D+02  0.404088D+00 -0.908155D+00 -0.224867D+01
      6   0.116465D+00  0.354579D+01  0.784586D+00 -0.339604D+00 -0.935221D+00
               281           282           283           284           285 
      1   0.129230D+02 -0.126625D+01  0.110793D+02 -0.311983D+02 -0.364853D+00
      2  -0.138964D+02  0.949521D+00 -0.447943D+01  0.522986D+02 -0.644425D+00
      3   0.973386D+00  0.316727D+00 -0.659984D+01 -0.211003D+02  0.100928D+01
      4  -0.739852D+01 -0.190720D+01  0.990877D+01  0.518696D+02 -0.846338D-01
      5  -0.198959D+00 -0.252328D+01  0.144939D+01 -0.251525D+01  0.609880D+01
      6  -0.136058D+01 -0.225098D+01 -0.594262D-01  0.462898D+01  0.674870D+01
               286           287           288           289           290 
      1  -0.515808D+01  0.159879D+01 -0.527372D+01  0.597555D+01  0.604882D+00
      2   0.163425D+01 -0.499295D+01  0.408328D+01 -0.589807D+01 -0.146184D+01
      3   0.352383D+01  0.339416D+01  0.119044D+01 -0.774863D-01  0.856963D+00
      4  -0.425510D+01 -0.841782D+01  0.338403D+01 -0.530036D+00 -0.272423D+01
      5   0.356422D+00  0.447535D+01  0.612254D+00  0.339185D+01 -0.136700D+01
      6  -0.423852D+00  0.629333D+01 -0.382764D+00  0.847536D-01 -0.136012D+01
               291           292           293           294           295 
      1   0.532810D+01 -0.569149D+01 -0.564838D+01 -0.477521D+00  0.112955D+02
      2  -0.216105D+01  0.236387D+01  0.328514D+01  0.299209D+01 -0.695637D+01
      3  -0.316706D+01  0.332762D+01  0.236324D+01 -0.251457D+01 -0.433911D+01
      4   0.129737D-01 -0.316422D+01 -0.245225D+01  0.232214D+01  0.629175D+01
      5   0.742574D+00 -0.248546D+01  0.215119D+01 -0.554953D+01  0.103785D+02
      6  -0.933394D+00 -0.769841D+00  0.296725D-01  0.139034D+01  0.213969D+01
               296           297 
      1  -0.100506D+01 -0.111571D+02
      2   0.344005D+01 -0.134812D+02
      3  -0.243499D+01  0.246383D+02
      4   0.986191D+01  0.335786D+00
      5   0.127569D+01  0.439715D+02
      6   0.460850D+01  0.168655D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Sep  8 17:33:32 2021, MaxMem=  6442450944 cpu:          134873.1 elap:           16865.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.32392 -19.26659 -10.43584 -10.32305 -10.31267
 Alpha  occ. eigenvalues --  -10.30624 -10.30170 -10.30107 -10.29940 -10.29907
 Alpha  occ. eigenvalues --  -10.29861 -10.29446 -10.29245 -10.28038 -10.28011
 Alpha  occ. eigenvalues --   -1.22120  -1.12962  -0.97489  -0.92749  -0.90054
 Alpha  occ. eigenvalues --   -0.85142  -0.84582  -0.78549  -0.78202  -0.77077
 Alpha  occ. eigenvalues --   -0.71091  -0.70240  -0.66728  -0.65060  -0.60418
 Alpha  occ. eigenvalues --   -0.59553  -0.58144  -0.56390  -0.55175  -0.54547
 Alpha  occ. eigenvalues --   -0.53615  -0.51913  -0.51470  -0.50944  -0.50656
 Alpha  occ. eigenvalues --   -0.49903  -0.47639  -0.46556  -0.46192  -0.45380
 Alpha  occ. eigenvalues --   -0.45214  -0.44337  -0.42809  -0.41948  -0.41470
 Alpha  occ. eigenvalues --   -0.41270  -0.40912  -0.39646  -0.36885  -0.33320
 Alpha  occ. eigenvalues --   -0.31611
 Alpha virt. eigenvalues --    0.03266   0.03559   0.04164   0.04554   0.04834
 Alpha virt. eigenvalues --    0.05066   0.05226   0.05387   0.05753   0.06379
 Alpha virt. eigenvalues --    0.06760   0.07187   0.07624   0.07804   0.08299
 Alpha virt. eigenvalues --    0.08401   0.09063   0.09600   0.09985   0.10184
 Alpha virt. eigenvalues --    0.10973   0.11183   0.11975   0.12358   0.12726
 Alpha virt. eigenvalues --    0.12958   0.13297   0.14003   0.14146   0.14437
 Alpha virt. eigenvalues --    0.14947   0.15191   0.15276   0.15685   0.16216
 Alpha virt. eigenvalues --    0.16305   0.16431   0.17042   0.17164   0.17251
 Alpha virt. eigenvalues --    0.17679   0.18489   0.18738   0.18996   0.19124
 Alpha virt. eigenvalues --    0.19636   0.19915   0.20601   0.20894   0.21031
 Alpha virt. eigenvalues --    0.21173   0.21731   0.22216   0.22379   0.22463
 Alpha virt. eigenvalues --    0.22726   0.23288   0.23381   0.23980   0.24129
 Alpha virt. eigenvalues --    0.24572   0.24923   0.25450   0.25941   0.26524
 Alpha virt. eigenvalues --    0.27031   0.27214   0.27294   0.27794   0.28492
 Alpha virt. eigenvalues --    0.28770   0.28911   0.29240   0.29697   0.29949
 Alpha virt. eigenvalues --    0.30219   0.30759   0.30968   0.31165   0.31365
 Alpha virt. eigenvalues --    0.31649   0.32248   0.32728   0.33222   0.33608
 Alpha virt. eigenvalues --    0.33921   0.34152   0.34972   0.35223   0.35411
 Alpha virt. eigenvalues --    0.35904   0.36272   0.36740   0.36991   0.37491
 Alpha virt. eigenvalues --    0.37852   0.38162   0.38524   0.38869   0.39816
 Alpha virt. eigenvalues --    0.40121   0.40329   0.40923   0.41575   0.41958
 Alpha virt. eigenvalues --    0.42491   0.42883   0.43298   0.43627   0.43850
 Alpha virt. eigenvalues --    0.44549   0.44684   0.44899   0.45062   0.45852
 Alpha virt. eigenvalues --    0.46089   0.46635   0.46979   0.47355   0.47434
 Alpha virt. eigenvalues --    0.47887   0.48291   0.48343   0.49748   0.50083
 Alpha virt. eigenvalues --    0.50518   0.50664   0.51519   0.51805   0.51942
 Alpha virt. eigenvalues --    0.52453   0.53279   0.53901   0.54124   0.54501
 Alpha virt. eigenvalues --    0.55173   0.55468   0.56421   0.56701   0.57181
 Alpha virt. eigenvalues --    0.57344   0.57542   0.58203   0.58857   0.59195
 Alpha virt. eigenvalues --    0.59758   0.60299   0.60718   0.61083   0.61193
 Alpha virt. eigenvalues --    0.62019   0.62618   0.63320   0.63472   0.64004
 Alpha virt. eigenvalues --    0.64642   0.64903   0.65187   0.65389   0.65692
 Alpha virt. eigenvalues --    0.66515   0.66571   0.67067   0.67341   0.67902
 Alpha virt. eigenvalues --    0.68487   0.68539   0.69064   0.69754   0.69980
 Alpha virt. eigenvalues --    0.70321   0.70882   0.71026   0.71699   0.71913
 Alpha virt. eigenvalues --    0.72427   0.72801   0.73323   0.73435   0.74060
 Alpha virt. eigenvalues --    0.74292   0.74741   0.75222   0.75516   0.75968
 Alpha virt. eigenvalues --    0.76143   0.77138   0.77377   0.78062   0.78264
 Alpha virt. eigenvalues --    0.79339   0.79533   0.79917   0.80217   0.81250
 Alpha virt. eigenvalues --    0.81761   0.82287   0.82588   0.83270   0.83400
 Alpha virt. eigenvalues --    0.84322   0.84421   0.84761   0.85710   0.86240
 Alpha virt. eigenvalues --    0.86818   0.87178   0.87428   0.87572   0.88450
 Alpha virt. eigenvalues --    0.89142   0.89420   0.90398   0.90553   0.91884
 Alpha virt. eigenvalues --    0.92658   0.93267   0.93375   0.93797   0.94669
 Alpha virt. eigenvalues --    0.95568   0.96126   0.96733   0.96915   0.98009
 Alpha virt. eigenvalues --    0.98290   0.98876   0.99541   1.01493   1.02407
 Alpha virt. eigenvalues --    1.03268   1.03796   1.04644   1.04849   1.05291
 Alpha virt. eigenvalues --    1.06574   1.07407   1.08046   1.09358   1.09885
 Alpha virt. eigenvalues --    1.10872   1.11504   1.12161   1.14039   1.14724
 Alpha virt. eigenvalues --    1.15115   1.16095   1.16992   1.17653   1.18294
 Alpha virt. eigenvalues --    1.18714   1.19387   1.19760   1.21120   1.22581
 Alpha virt. eigenvalues --    1.23305   1.25128   1.25530   1.25972   1.27710
 Alpha virt. eigenvalues --    1.28037   1.28379   1.29016   1.30934   1.31108
 Alpha virt. eigenvalues --    1.32532   1.34296   1.35117   1.38128   1.39312
 Alpha virt. eigenvalues --    1.40616   1.41819   1.41994   1.42888   1.44939
 Alpha virt. eigenvalues --    1.45649   1.46581   1.46944   1.47741   1.49010
 Alpha virt. eigenvalues --    1.50281   1.50810   1.51723   1.53149   1.53688
 Alpha virt. eigenvalues --    1.55539   1.56802   1.56994   1.57568   1.58359
 Alpha virt. eigenvalues --    1.58753   1.59912   1.60043   1.60729   1.61937
 Alpha virt. eigenvalues --    1.62847   1.63835   1.64720   1.65306   1.66170
 Alpha virt. eigenvalues --    1.67323   1.68335   1.69226   1.69657   1.70214
 Alpha virt. eigenvalues --    1.71299   1.73234   1.73920   1.75009   1.75772
 Alpha virt. eigenvalues --    1.76048   1.77152   1.77749   1.78806   1.79466
 Alpha virt. eigenvalues --    1.80107   1.80984   1.81778   1.82500   1.82827
 Alpha virt. eigenvalues --    1.83437   1.85521   1.86501   1.86794   1.87821
 Alpha virt. eigenvalues --    1.88482   1.90190   1.90527   1.91011   1.91811
 Alpha virt. eigenvalues --    1.92481   1.92961   1.94772   1.94973   1.96055
 Alpha virt. eigenvalues --    1.97279   1.97971   1.98509   1.99072   1.99378
 Alpha virt. eigenvalues --    1.99934   2.00673   2.01201   2.02293   2.02900
 Alpha virt. eigenvalues --    2.03729   2.05283   2.05996   2.06400   2.07817
 Alpha virt. eigenvalues --    2.08817   2.09721   2.10258   2.11553   2.12347
 Alpha virt. eigenvalues --    2.14010   2.14449   2.15359   2.16117   2.16513
 Alpha virt. eigenvalues --    2.18791   2.19364   2.19783   2.21464   2.22332
 Alpha virt. eigenvalues --    2.22559   2.23714   2.24799   2.25304   2.25625
 Alpha virt. eigenvalues --    2.26743   2.28014   2.28576   2.29239   2.30525
 Alpha virt. eigenvalues --    2.30718   2.32864   2.33243   2.34992   2.36756
 Alpha virt. eigenvalues --    2.38279   2.38725   2.39267   2.39617   2.39889
 Alpha virt. eigenvalues --    2.40519   2.40670   2.41680   2.42578   2.44858
 Alpha virt. eigenvalues --    2.46683   2.47658   2.49303   2.53076   2.54760
 Alpha virt. eigenvalues --    2.55348   2.56878   2.57105   2.58572   2.60788
 Alpha virt. eigenvalues --    2.61357   2.61702   2.63109   2.64406   2.66876
 Alpha virt. eigenvalues --    2.69632   2.70645   2.71595   2.72348   2.75876
 Alpha virt. eigenvalues --    2.77810   2.78142   2.79677   2.81962   2.82554
 Alpha virt. eigenvalues --    2.85168   2.87705   2.88700   2.90212   2.91584
 Alpha virt. eigenvalues --    2.94516   2.95727   2.97749   2.99456   3.02241
 Alpha virt. eigenvalues --    3.02901   3.11645   3.16274   3.17655   3.19177
 Alpha virt. eigenvalues --    3.27905   3.31839   3.32503   3.41600   3.44301
 Alpha virt. eigenvalues --    3.46043   3.51289   3.52366   3.54980   3.55806
 Alpha virt. eigenvalues --    3.59495   3.62216   3.72855   3.74430   3.78696
 Alpha virt. eigenvalues --    3.81617   3.92051   3.98719   4.10750   4.88976
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   28.163346  -6.287629  -4.739229  -1.675303   1.730763  -9.135208
     2  C   -6.287629  21.756825  -0.944939  -3.408375  -3.348471  -2.290019
     3  C   -4.739229  -0.944939  29.819361  -5.489127 -10.527083   1.120966
     4  C   -1.675303  -3.408375  -5.489127  25.646992  -3.607411  -3.272762
     5  C    1.730763  -3.348471 -10.527083  -3.607411  23.442564  -0.728206
     6  C   -9.135208  -2.290019   1.120966  -3.272762  -0.728206  21.517219
     7  C   -0.279765  -2.134705  -0.213882  -0.341657  -0.864848   0.377301
     8  C    0.005234   0.228838   0.177789  -0.044383   0.241783  -0.164752
     9  C   -0.135672  -0.346562   0.044610   0.011538  -0.189404   0.170758
    10  C    0.034062  -0.017171  -0.190189  -0.002312   0.015690  -0.162854
    11  C    0.207032  -0.061668   0.172864  -5.564181   0.651878  -0.523320
    12  C    0.070583   0.061946  -0.912492   0.957868  -0.155321  -0.187204
    13  O   -0.051647  -0.002045   0.157849  -0.106313  -0.006273   0.012030
    14  O   -0.039103   0.003532   0.073525  -0.009493   0.000628   0.033843
    15  H   -3.685653   2.466620   0.432236  -0.919602  -0.292816   1.040758
    16  H    0.855829  -0.708040  -3.973802   1.844674   0.921876  -0.305439
    17  H   -0.540105   0.244888   0.650019   0.684889  -2.379947   0.496574
    18  H    0.488117   0.606378  -0.431351   0.363544   0.441832  -2.115686
    19  H    0.872704  -0.373653   0.426928   0.128436  -0.317387  -0.548835
    20  H   -0.610973  -0.289982  -0.175409   0.001259   0.515488   0.551430
    21  H   -0.047312   0.040167   0.000229   0.008728   0.020886   0.040874
    22  H    0.038283  -0.020541  -0.006790  -0.008184   0.006371  -0.068308
    23  H    0.014566   0.028977   0.002375  -0.004052   0.065239   0.066695
    24  H   -0.052957   0.097943   0.039811   0.046492  -0.150708   0.080445
    25  H    0.067028   0.115397  -0.131919   0.034300   0.031368  -0.066202
    26  H    0.143793  -0.034288   0.099202   0.024422  -0.008066  -0.018014
    27  H   -0.102801  -0.003694   0.007911  -0.023315   0.005497   0.034269
    28  H   -0.044689  -0.011819  -0.090156   0.769436  -0.091884  -0.023664
    29  C    0.037048  -0.087709  -0.377742  -0.582406   0.301866  -0.104701
    30  H    0.006047   0.001657  -0.018615   0.032771  -0.009905  -0.006503
    31  H   -0.002337   0.038781   0.084006   0.892956  -0.250446  -0.011205
    32  H   -0.016224  -0.021143   0.087588  -0.695091   0.184604   0.028097
    33  H   -0.029564  -0.036912  -0.204073  -0.061321   0.122294  -0.011834
               7          8          9         10         11         12
     1  C   -0.279765   0.005234  -0.135672   0.034062   0.207032   0.070583
     2  C   -2.134705   0.228838  -0.346562  -0.017171  -0.061668   0.061946
     3  C   -0.213882   0.177789   0.044610  -0.190189   0.172864  -0.912492
     4  C   -0.341657  -0.044383   0.011538  -0.002312  -5.564181   0.957868
     5  C   -0.864848   0.241783  -0.189404   0.015690   0.651878  -0.155321
     6  C    0.377301  -0.164752   0.170758  -0.162854  -0.523320  -0.187204
     7  C   10.431756  -0.991213   0.373436   0.204236  -0.327807  -0.002180
     8  C   -0.991213   8.243406  -0.299092  -0.280649   0.038001  -0.001074
     9  C    0.373436  -0.299092   5.110155  -0.287180  -0.038076   0.003479
    10  C    0.204236  -0.280649  -0.287180   5.074542   0.000898  -0.003548
    11  C   -0.327807   0.038001  -0.038076   0.000898  14.653270  -2.427575
    12  C   -0.002180  -0.001074   0.003479  -0.003548  -2.427575   7.666272
    13  O   -0.001863   0.000298  -0.000062  -0.000161   0.108383   0.038028
    14  O    0.000757   0.000593  -0.000238   0.000302   0.118934  -0.281528
    15  H   -0.302983   0.021545   0.002840   0.006699   0.021845   0.004912
    16  H    0.160140  -0.019679   0.003765   0.017544  -0.251184   0.171072
    17  H    0.182198  -0.026445   0.025699   0.000534  -0.194172  -0.033172
    18  H   -0.571181   0.054439  -0.072314   0.015080   0.150742   0.002781
    19  H   -0.467888   0.137054   0.016833  -0.034628  -0.003360  -0.001745
    20  H   -0.283433   0.143229  -0.009988   0.022384  -0.008893   0.001215
    21  H    0.051067  -1.124973   0.104649   0.124709   0.002629  -0.000117
    22  H    0.088061   0.038897   0.111423   0.099656  -0.003362   0.001049
    23  H   -0.178924   0.304145  -0.165311  -0.003576   0.001265  -0.000100
    24  H   -0.167063  -0.064384   0.496956  -0.214445   0.000175  -0.001223
    25  H   -0.178390  -0.069993  -0.213900   0.515630   0.005561   0.000162
    26  H   -0.184806   0.300952  -0.005900  -0.196568  -0.003084   0.001602
    27  H    0.092837   0.030397   0.112442   0.121144   0.001309  -0.000881
    28  H   -0.010439   0.001849  -0.001458  -0.000208  -1.468078   0.166879
    29  C   -0.052029   0.002384  -0.001996  -0.002503   0.530650   0.020869
    30  H    0.000186  -0.000073  -0.000060   0.000037   0.017175  -0.055147
    31  H    0.002387  -0.000165   0.000079  -0.000089  -0.528548   0.050714
    32  H   -0.010032   0.000758  -0.000511  -0.000161   0.656452  -0.137650
    33  H   -0.010149   0.000584  -0.000251  -0.000462  -0.264125   0.050880
              13         14         15         16         17         18
     1  C   -0.051647  -0.039103  -3.685653   0.855829  -0.540105   0.488117
     2  C   -0.002045   0.003532   2.466620  -0.708040   0.244888   0.606378
     3  C    0.157849   0.073525   0.432236  -3.973802   0.650019  -0.431351
     4  C   -0.106313  -0.009493  -0.919602   1.844674   0.684889   0.363544
     5  C   -0.006273   0.000628  -0.292816   0.921876  -2.379947   0.441832
     6  C    0.012030   0.033843   1.040758  -0.305439   0.496574  -2.115686
     7  C   -0.001863   0.000757  -0.302983   0.160140   0.182198  -0.571181
     8  C    0.000298   0.000593   0.021545  -0.019679  -0.026445   0.054439
     9  C   -0.000062  -0.000238   0.002840   0.003765   0.025699  -0.072314
    10  C   -0.000161   0.000302   0.006699   0.017544   0.000534   0.015080
    11  C    0.108383   0.118934   0.021845  -0.251184  -0.194172   0.150742
    12  C    0.038028  -0.281528   0.004912   0.171072  -0.033172   0.002781
    13  O    8.442457  -0.001872  -0.000786  -0.041138   0.003757  -0.000022
    14  O   -0.001872   8.370394  -0.001152  -0.013223   0.016315  -0.000755
    15  H   -0.000786  -0.001152   3.711450  -0.403156  -0.025372   0.017946
    16  H   -0.041138  -0.013223  -0.403156   3.885109   0.008660  -0.023794
    17  H    0.003757   0.016315  -0.025372   0.008660   3.361409  -0.381639
    18  H   -0.000022  -0.000755   0.017946  -0.023794  -0.381639   3.453154
    19  H   -0.000037   0.000063  -0.070766   0.002409  -0.001025   0.021134
    20  H   -0.000036  -0.000021   0.015990   0.001542   0.014431  -0.078016
    21  H    0.000013   0.000023   0.013426  -0.001677  -0.002856   0.018452
    22  H   -0.000022  -0.000108   0.001045  -0.000704   0.000606   0.010852
    23  H   -0.000004   0.000087  -0.007175   0.001509   0.005370  -0.030960
    24  H   -0.000015   0.000159   0.015027  -0.001264  -0.002009  -0.019546
    25  H   -0.000078  -0.000867  -0.020686  -0.001361  -0.002700   0.016782
    26  H    0.000002   0.000027  -0.012478  -0.000518   0.001222  -0.005051
    27  H   -0.000011   0.000087   0.010269   0.001174  -0.000632   0.000539
    28  H   -0.001875  -0.047543   0.005647  -0.025276  -0.171714   0.011125
    29  C   -0.005449   0.004890   0.005320  -0.016698  -0.003746   0.007933
    30  H   -0.038636   0.301216  -0.000076   0.001610  -0.000673  -0.000047
    31  H   -0.002760   0.000766  -0.000185   0.006857  -0.000895   0.001046
    32  H    0.018599   0.007983  -0.002895   0.017294  -0.006168   0.001257
    33  H    0.008977  -0.008973   0.000519  -0.080716   0.006884  -0.000512
              19         20         21         22         23         24
     1  C    0.872704  -0.610973  -0.047312   0.038283   0.014566  -0.052957
     2  C   -0.373653  -0.289982   0.040167  -0.020541   0.028977   0.097943
     3  C    0.426928  -0.175409   0.000229  -0.006790   0.002375   0.039811
     4  C    0.128436   0.001259   0.008728  -0.008184  -0.004052   0.046492
     5  C   -0.317387   0.515488   0.020886   0.006371   0.065239  -0.150708
     6  C   -0.548835   0.551430   0.040874  -0.068308   0.066695   0.080445
     7  C   -0.467888  -0.283433   0.051067   0.088061  -0.178924  -0.167063
     8  C    0.137054   0.143229  -1.124973   0.038897   0.304145  -0.064384
     9  C    0.016833  -0.009988   0.104649   0.111423  -0.165311   0.496956
    10  C   -0.034628   0.022384   0.124709   0.099656  -0.003576  -0.214445
    11  C   -0.003360  -0.008893   0.002629  -0.003362   0.001265   0.000175
    12  C   -0.001745   0.001215  -0.000117   0.001049  -0.000100  -0.001223
    13  O   -0.000037  -0.000036   0.000013  -0.000022  -0.000004  -0.000015
    14  O    0.000063  -0.000021   0.000023  -0.000108   0.000087   0.000159
    15  H   -0.070766   0.015990   0.013426   0.001045  -0.007175   0.015027
    16  H    0.002409   0.001542  -0.001677  -0.000704   0.001509  -0.001264
    17  H   -0.001025   0.014431  -0.002856   0.000606   0.005370  -0.002009
    18  H    0.021134  -0.078016   0.018452   0.010852  -0.030960  -0.019546
    19  H    2.293601  -0.620172  -0.015668  -0.014480   0.021748   0.014926
    20  H   -0.620172   2.265931  -0.019334   0.020856  -0.007926  -0.020150
    21  H   -0.015668  -0.019334   2.349714  -0.061177  -0.083975   0.106209
    22  H   -0.014480   0.020856  -0.061177   2.045517  -0.490993  -0.503122
    23  H    0.021748  -0.007926  -0.083975  -0.490993   1.943187  -0.278129
    24  H    0.014926  -0.020150   0.106209  -0.503122  -0.278129   1.703030
    25  H   -0.019811   0.016039   0.107174  -0.001160  -0.003792  -0.011170
    26  H   -0.015208   0.023694  -0.080833   0.029249  -0.014580  -0.003098
    27  H    0.022193  -0.014852  -0.062682  -0.035905   0.030755  -0.004228
    28  H    0.000164  -0.001496   0.000266   0.000017  -0.000518   0.000481
    29  C   -0.001338  -0.001697   0.000170  -0.000243   0.000425   0.000285
    30  H   -0.000026   0.000057  -0.000015  -0.000003   0.000012  -0.000091
    31  H    0.000166   0.000073   0.000003   0.000006   0.000014  -0.000015
    32  H   -0.000502   0.000004   0.000054  -0.000053   0.000056   0.000105
    33  H   -0.000166  -0.000279  -0.000014  -0.000008   0.000070  -0.000059
              25         26         27         28         29         30
     1  C    0.067028   0.143793  -0.102801  -0.044689   0.037048   0.006047
     2  C    0.115397  -0.034288  -0.003694  -0.011819  -0.087709   0.001657
     3  C   -0.131919   0.099202   0.007911  -0.090156  -0.377742  -0.018615
     4  C    0.034300   0.024422  -0.023315   0.769436  -0.582406   0.032771
     5  C    0.031368  -0.008066   0.005497  -0.091884   0.301866  -0.009905
     6  C   -0.066202  -0.018014   0.034269  -0.023664  -0.104701  -0.006503
     7  C   -0.178390  -0.184806   0.092837  -0.010439  -0.052029   0.000186
     8  C   -0.069993   0.300952   0.030397   0.001849   0.002384  -0.000073
     9  C   -0.213900  -0.005900   0.112442  -0.001458  -0.001996  -0.000060
    10  C    0.515630  -0.196568   0.121144  -0.000208  -0.002503   0.000037
    11  C    0.005561  -0.003084   0.001309  -1.468078   0.530650   0.017175
    12  C    0.000162   0.001602  -0.000881   0.166879   0.020869  -0.055147
    13  O   -0.000078   0.000002  -0.000011  -0.001875  -0.005449  -0.038636
    14  O   -0.000867   0.000027   0.000087  -0.047543   0.004890   0.301216
    15  H   -0.020686  -0.012478   0.010269   0.005647   0.005320  -0.000076
    16  H   -0.001361  -0.000518   0.001174  -0.025276  -0.016698   0.001610
    17  H   -0.002700   0.001222  -0.000632  -0.171714  -0.003746  -0.000673
    18  H    0.016782  -0.005051   0.000539   0.011125   0.007933  -0.000047
    19  H   -0.019811  -0.015208   0.022193   0.000164  -0.001338  -0.000026
    20  H    0.016039   0.023694  -0.014852  -0.001496  -0.001697   0.000057
    21  H    0.107174  -0.080833  -0.062682   0.000266   0.000170  -0.000015
    22  H   -0.001160   0.029249  -0.035905   0.000017  -0.000243  -0.000003
    23  H   -0.003792  -0.014580   0.030755  -0.000518   0.000425   0.000012
    24  H   -0.011170  -0.003098  -0.004228   0.000481   0.000285  -0.000091
    25  H    1.696045  -0.273133  -0.501603   0.000669   0.001654   0.000086
    26  H   -0.273133   1.937266  -0.489532  -0.000278   0.000124   0.000050
    27  H   -0.501603  -0.489532   2.050211   0.000121  -0.000271  -0.000026
    28  H    0.000669  -0.000278   0.000121   2.461400   0.073163   0.006039
    29  C    0.001654   0.000124  -0.000271   0.073163   4.751298   0.010096
    30  H    0.000086   0.000050  -0.000026   0.006039   0.010096   0.578393
    31  H    0.000173   0.000020  -0.000018   0.008566  -0.200553   0.000769
    32  H   -0.000292   0.000072  -0.000016  -0.022664   0.079656  -0.001026
    33  H    0.000510  -0.000038  -0.000040   0.073215   0.595613   0.003119
              31         32         33
     1  C   -0.002337  -0.016224  -0.029564
     2  C    0.038781  -0.021143  -0.036912
     3  C    0.084006   0.087588  -0.204073
     4  C    0.892956  -0.695091  -0.061321
     5  C   -0.250446   0.184604   0.122294
     6  C   -0.011205   0.028097  -0.011834
     7  C    0.002387  -0.010032  -0.010149
     8  C   -0.000165   0.000758   0.000584
     9  C    0.000079  -0.000511  -0.000251
    10  C   -0.000089  -0.000161  -0.000462
    11  C   -0.528548   0.656452  -0.264125
    12  C    0.050714  -0.137650   0.050880
    13  O   -0.002760   0.018599   0.008977
    14  O    0.000766   0.007983  -0.008973
    15  H   -0.000185  -0.002895   0.000519
    16  H    0.006857   0.017294  -0.080716
    17  H   -0.000895  -0.006168   0.006884
    18  H    0.001046   0.001257  -0.000512
    19  H    0.000166  -0.000502  -0.000166
    20  H    0.000073   0.000004  -0.000279
    21  H    0.000003   0.000054  -0.000014
    22  H    0.000006  -0.000053  -0.000008
    23  H    0.000014   0.000056   0.000070
    24  H   -0.000015   0.000105  -0.000059
    25  H    0.000173  -0.000292   0.000510
    26  H    0.000020   0.000072  -0.000038
    27  H   -0.000018  -0.000016  -0.000040
    28  H    0.008566  -0.022664   0.073215
    29  C   -0.200553   0.079656   0.595613
    30  H    0.000769  -0.001026   0.003119
    31  H    1.819162  -0.353604  -0.312391
    32  H   -0.353604   1.672346  -0.302183
    33  H   -0.312391  -0.302183   1.615363
 Mulliken charges:
               1
     1  C    0.741736
     2  C    0.737418
     3  C    1.029528
     4  C    0.366981
     5  C    0.227548
     6  C    0.173458
     7  C    1.610875
     8  C   -0.885299
     9  C    1.179314
    10  C    1.143556
    11  C    0.328371
    12  C    0.930645
    13  O   -0.529285
    14  O   -0.529247
    15  H   -1.048312
    16  H   -1.033392
    17  H   -0.930186
    18  H   -0.952261
    19  H   -0.451664
    20  H   -0.450966
    21  H   -0.488809
    22  H   -0.276728
    23  H   -0.216479
    24  H   -0.108369
    25  H   -0.111522
    26  H   -0.216223
    27  H   -0.280649
    28  H   -0.565276
    29  C    1.015636
    30  H    0.171602
    31  H   -0.243334
    32  H   -0.184709
    33  H   -0.153956
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.306575
     2  C    0.737418
     3  C   -0.003865
     4  C    0.366981
     5  C   -0.702638
     6  C   -0.778803
     7  C    0.708245
     8  C   -1.374108
     9  C    0.577738
    10  C    0.535161
    11  C   -0.236905
    12  C    0.930645
    13  O   -0.529285
    14  O   -0.357645
    29  C    0.433636
 Electronic spatial extent (au):  <R**2>=           4245.9169
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.2239    Y=             -0.5029    Z=              1.2242  Tot=              1.8027
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -89.6361   YY=            -89.5800   ZZ=            -91.5115
   XY=              1.4111   XZ=             -6.3045   YZ=              0.8269
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.6064   YY=              0.6626   ZZ=             -1.2690
   XY=              1.4111   XZ=             -6.3045   YZ=              0.8269
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.3699  YYY=             35.1604  ZZZ=             -2.2658  XYY=            -19.9590
  XXY=             -6.7538  XXZ=             23.8197  XZZ=              0.9473  YZZ=             -3.2079
  YYZ=             14.9007  XYZ=            -12.0701
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -4312.9296 YYYY=           -723.2929 ZZZZ=           -607.2929 XXXY=             -0.2353
 XXXZ=           -102.8604 YYYX=            -93.7311 YYYZ=             32.3032 ZZZX=            -12.9322
 ZZZY=             -9.8326 XXYY=           -800.0113 XXZZ=           -850.1055 YYZZ=           -234.2230
 XXYZ=             46.4628 YYXZ=            -29.8963 ZZXY=             -5.7822
 N-N= 9.843326362736D+02 E-N=-3.495859350582D+03  KE= 6.526069909673D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Sep  8 17:33:33 2021, MaxMem=  6442450944 cpu:               5.4 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 4.71324582D-01-1.77070808D-01 4.73123682D-01
 Polarizability= 1.99037106D+02-5.54040444D-01 1.30507314D+02
                 1.66351006D+00-7.44604290D+00 1.45233610D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.8945   -0.8932       -0.4848   -0.4874
 2      0.8945    0.8932        3.8990    3.8962      -35.9873  -35.9857
 3      0.4848    0.4874       28.2198   28.2196       -3.8964   -3.8962
 4     -3.8990   -3.8962        0.0000    0.0000        0.4847    0.4874
 5      7.7675    7.7661       -0.4847   -0.4874       -0.8923   -0.8932
 6      3.8964    3.8962        0.8923    0.8932       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        2.6795    2.6795       -1.4622   -1.4622
 2    -11.6887  -11.6887       -0.0000    0.0000       -1.4622   -1.4622
 3    -11.6887  -11.6887        2.6795    2.6795        0.0000    0.0000
 4      2.6795    2.6795       11.6887   11.6887     -107.9571 -107.9571
 5      1.4622    1.4622       84.6587   84.6587      -11.6887  -11.6887
 6     23.2984   23.2984       -1.4622   -1.4622       -2.6795   -2.6795
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2420    0.0000        2.6039    3.5727        1.0135    1.9496
 2     -4.2211   -3.5727      -16.2900  -15.5849      142.3219  143.9428
 3     -1.4893   -1.9496     -113.2945 -112.8783       16.2730   15.5849
 4     15.6967   15.5849       -0.1827    0.0000       -2.1046   -1.9496
 5    -30.9826  -31.0645        1.3405    1.9496        4.2256    3.5727
 6    -15.7608  -15.5849       -3.9006   -3.5727        0.0640    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.8573    0.0000      -91.2000  -90.7588        6.9131    5.4166
 2     90.5038   90.7588       15.2203   15.4395       -4.8875   -4.5994
 3     -6.4951   -5.4166       50.5990   49.6056      -15.9561  -15.4395
 4    -15.5393  -15.4395       -0.0628    0.0000       -6.3806   -5.4166
 5    -44.8165  -45.0061        6.0199    5.4166      -90.6922  -90.7588
 6     14.9909   15.4395       91.1218   90.7588       -0.0840    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -20.2812  -20.7646        1.7073    2.4004      -47.5031  -48.5379
 2    -40.0746  -41.3603      -71.4467  -70.7012      -47.2129  -48.5379
 3    -40.4361  -41.3603        1.7517    2.4004      -60.0897  -60.7760
 4     72.9253   73.1016       20.6956   20.5957       22.0601   22.1778
 5    -12.2268  -12.2381       63.5373   63.2907      -21.8085  -20.5957
 6    -85.3475  -85.4685       13.4542   12.2381      -73.3282  -73.1016
 Full mass-weighted force constant matrix:
 Low frequencies ---   -0.0004    0.0003    0.0004    1.5729    3.1172    7.0147
 Low frequencies ---   24.6721   37.4950   48.0329
 Diagonal vibrational polarizability:
       44.6508982      20.9538794       8.6318248
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     24.6624                37.4898                48.0326
 Red. masses --      3.8552                 6.7236                 4.0746
 Frc consts  --      0.0014                 0.0056                 0.0055
 IR Inten    --      0.2284                 1.1648                 0.6317
 RamAct Fr= 1--      0.5238                 1.1107                 0.8616
  Dep-P Fr= 1--      0.7499                 0.6912                 0.6874
  Dep-U Fr= 1--      0.8571                 0.8174                 0.8148
 Alpha2 Fr= 1--      0.0000                 0.0011                 0.0009
 Beta2  Fr= 1--      0.0748                 0.1513                 0.1170
 AlphaG Fr= 1--      0.0000                 0.0054                -0.0024
 Gamma2 Fr= 1--     -0.1728                 0.1825                -0.8078
 Delta2 Fr= 1--     -0.3393                 0.4764                -0.6663
 Raman1 Fr= 1--       2.095                  4.443                  3.446
 ROA1   Fr= 1--     -27.445                 32.762                -98.870
 CID1   Fr= 1--     -13.100                  7.374                -28.688
 Raman2 Fr= 1--       0.898                  1.816                  1.404
 ROA2   Fr= 1--      -1.432                  0.569                -14.057
 CID2   Fr= 1--      -1.595                  0.313                -10.012
 Raman3 Fr= 1--       1.796                  3.632                  2.808
 ROA3   Fr= 1--     -27.445                 32.762                -98.870
 CID3   Fr= 1--     -15.284                  9.021                -35.210
 RC180  Fr= 1--       0.714                  0.635                  0.630
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.09   0.01    -0.01  -0.08  -0.03    -0.02  -0.14  -0.07
     2   6     0.00  -0.03   0.05    -0.00  -0.04  -0.01     0.00  -0.04  -0.04
     3   6     0.02  -0.10  -0.03    -0.01  -0.10  -0.04    -0.02  -0.15  -0.06
     4   6    -0.01  -0.05  -0.03    -0.01  -0.07  -0.03     0.01  -0.04  -0.01
     5   6    -0.03   0.00   0.01    -0.01  -0.06  -0.02     0.03   0.05   0.01
     6   6    -0.02   0.01   0.05    -0.01  -0.04  -0.02     0.03   0.05   0.00
     7   6     0.01  -0.02   0.09     0.00   0.04   0.02     0.00   0.03  -0.05
     8   6    -0.03   0.03  -0.00    -0.08   0.08   0.05    -0.06   0.06  -0.01
     9   6    -0.11   0.19  -0.04    -0.12   0.05   0.06     0.06  -0.08   0.02
    10   6    -0.01  -0.06  -0.15    -0.15   0.07   0.07    -0.24   0.10   0.13
    11   6    -0.01  -0.03  -0.06    -0.00  -0.01  -0.02     0.01   0.01   0.02
    12   6     0.05   0.01   0.06     0.08   0.01  -0.01     0.08   0.03  -0.01
    13   8     0.12   0.13   0.08    -0.18  -0.02   0.09     0.25   0.06  -0.07
    14   8     0.01  -0.11   0.14     0.49   0.08  -0.11    -0.07   0.01   0.02
    15   1     0.04  -0.13   0.00    -0.00  -0.09  -0.03    -0.04  -0.21  -0.09
    16   1     0.03  -0.13  -0.06    -0.01  -0.12  -0.05    -0.04  -0.22  -0.07
    17   1    -0.05   0.04   0.01    -0.01  -0.04  -0.02     0.05   0.12   0.05
    18   1    -0.04   0.06   0.08    -0.00  -0.02  -0.01     0.04   0.12   0.02
    19   1     0.04  -0.11   0.12     0.04   0.06   0.02     0.00   0.07  -0.05
    20   1     0.01   0.04   0.18     0.04   0.05   0.02     0.05   0.03  -0.08
    21   1    -0.01   0.03   0.07    -0.06   0.15   0.06    -0.06   0.16  -0.13
    22   1    -0.14   0.23  -0.10    -0.17   0.08   0.08     0.02  -0.05   0.03
    23   1    -0.12   0.26   0.06    -0.08   0.05   0.05     0.18  -0.10  -0.08
    24   1    -0.13   0.20  -0.12    -0.14  -0.02   0.05     0.07  -0.17   0.15
    25   1    -0.02  -0.05  -0.23    -0.17   0.00   0.07    -0.24  -0.00   0.25
    26   1     0.05  -0.17  -0.12    -0.12   0.10   0.07    -0.33   0.20   0.10
    27   1    -0.03  -0.03  -0.21    -0.20   0.11   0.10    -0.28   0.13   0.14
    28   1    -0.05  -0.12  -0.09     0.00   0.00  -0.02     0.03   0.05   0.03
    29   6    -0.03   0.08  -0.17    -0.06   0.03  -0.01    -0.05   0.03   0.06
    30   1     0.06  -0.08   0.22     0.52   0.09  -0.10    -0.00   0.02  -0.00
    31   1    -0.03   0.10  -0.18    -0.06   0.10  -0.00    -0.04   0.07   0.10
    32   1    -0.06   0.06  -0.26    -0.13   0.01   0.00    -0.09   0.02   0.07
    33   1    -0.00   0.18  -0.14    -0.06   0.00  -0.01    -0.07   0.00   0.06
                      4                      5                      6
                      A                      A                      A
 Frequencies --     57.6977                90.9939               114.0473
 Red. masses --      3.8981                 2.9378                 4.5564
 Frc consts  --      0.0076                 0.0143                 0.0349
 IR Inten    --      0.4863                 0.0494                 0.1132
 RamAct Fr= 1--      3.2308                 2.0736                 3.3939
  Dep-P Fr= 1--      0.7393                 0.7311                 0.6775
  Dep-U Fr= 1--      0.8501                 0.8447                 0.8077
 Alpha2 Fr= 1--      0.0006                 0.0007                 0.0043
 Beta2  Fr= 1--      0.4578                 0.2919                 0.4569
 AlphaG Fr= 1--     -0.0014                 0.0016                -0.0047
 Gamma2 Fr= 1--      0.8273                 0.3808                 0.1054
 Delta2 Fr= 1--      0.5869                 0.1748                 0.0992
 Raman1 Fr= 1--      12.923                  8.294                 13.576
 ROA1   Fr= 1--      98.206                 42.148                 13.292
 CID1   Fr= 1--       7.599                  5.081                  0.979
 Raman2 Fr= 1--       5.493                  3.503                  5.483
 ROA2   Fr= 1--      15.161                  7.740                  1.736
 CID2   Fr= 1--       2.760                  2.210                  0.317
 Raman3 Fr= 1--      10.986                  7.006                 10.965
 ROA3   Fr= 1--      98.206                 42.148                 13.292
 CID3   Fr= 1--       8.939                  6.016                  1.212
 RC180  Fr= 1--       0.700                  0.689                  0.615
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.07  -0.02    -0.03  -0.08  -0.11    -0.10   0.10   0.05
     2   6    -0.01   0.05   0.04     0.00   0.02  -0.08    -0.07   0.13   0.04
     3   6    -0.01  -0.09  -0.05    -0.03  -0.10  -0.09    -0.11  -0.03   0.02
     4   6    -0.02   0.02  -0.02     0.01   0.00  -0.04    -0.10  -0.12   0.00
     5   6    -0.01   0.18   0.05     0.04   0.11  -0.01    -0.08  -0.07   0.00
     6   6    -0.01   0.20   0.08     0.04   0.11  -0.04    -0.06   0.06   0.02
     7   6    -0.01  -0.01   0.02     0.01   0.03  -0.07    -0.07   0.10  -0.00
     8   6     0.06  -0.04  -0.02     0.01  -0.02   0.08     0.06   0.02  -0.01
     9   6     0.23  -0.08  -0.00    -0.18  -0.04   0.07     0.14   0.02  -0.01
    10   6     0.00  -0.01   0.05     0.19   0.01   0.04     0.20   0.06  -0.01
    11   6    -0.03  -0.03  -0.07     0.02   0.00   0.02    -0.10  -0.09   0.01
    12   6    -0.07  -0.03   0.01    -0.00  -0.01   0.03     0.06  -0.05  -0.02
    13   8    -0.17   0.00   0.07    -0.01  -0.01   0.03     0.18  -0.01  -0.06
    14   8     0.03  -0.06   0.03    -0.02  -0.01   0.04     0.12  -0.06  -0.03
    15   1    -0.00  -0.17  -0.05    -0.05  -0.15  -0.14    -0.11   0.16   0.06
    16   1    -0.01  -0.20  -0.11    -0.06  -0.18  -0.10    -0.13  -0.05   0.03
    17   1    -0.02   0.28   0.08     0.07   0.19   0.02    -0.07  -0.12  -0.01
    18   1    -0.01   0.30   0.13     0.06   0.19  -0.02    -0.05   0.08   0.02
    19   1    -0.04  -0.04   0.02     0.03   0.12  -0.09    -0.13   0.11  -0.01
    20   1    -0.04  -0.02   0.03    -0.02  -0.03  -0.14    -0.11   0.06  -0.04
    21   1     0.03  -0.06  -0.14     0.03  -0.07   0.22     0.03  -0.11  -0.03
    22   1     0.28  -0.10  -0.05    -0.12  -0.11   0.17     0.24  -0.05  -0.02
    23   1     0.28  -0.10  -0.06    -0.36  -0.07   0.10     0.06  -0.01  -0.02
    24   1     0.27  -0.06   0.12    -0.19   0.07  -0.08     0.17   0.13   0.02
    25   1     0.03   0.00   0.16     0.15   0.01  -0.15     0.22   0.17  -0.02
    26   1    -0.12   0.01   0.03     0.38   0.03   0.05     0.18   0.05  -0.01
    27   1     0.04  -0.03   0.00     0.15  -0.01   0.18     0.28  -0.01  -0.01
    28   1    -0.06  -0.10  -0.09     0.07   0.02   0.04    -0.11  -0.06   0.01
    29   6     0.02   0.01  -0.15    -0.03  -0.02   0.08    -0.18  -0.04   0.03
    30   1    -0.00  -0.06   0.08    -0.03  -0.01   0.04     0.27  -0.02  -0.06
    31   1     0.01  -0.04  -0.17    -0.02  -0.02   0.15    -0.18   0.06   0.03
    32   1     0.04   0.00  -0.21    -0.01  -0.01   0.08    -0.28  -0.07   0.05
    33   1     0.03   0.08  -0.13    -0.10  -0.03   0.07    -0.17  -0.08   0.02
                      7                      8                      9
                      A                      A                      A
 Frequencies --    156.4530               200.6287               223.8801
 Red. masses --      3.7913                 2.9721                 1.0878
 Frc consts  --      0.0547                 0.0705                 0.0321
 IR Inten    --      0.0817                 0.5088                 0.2947
 RamAct Fr= 1--      0.9628                 0.3617                 0.0490
  Dep-P Fr= 1--      0.1328                 0.0505                 0.4490
  Dep-U Fr= 1--      0.2344                 0.0961                 0.6198
 Alpha2 Fr= 1--      0.0155                 0.0071                 0.0003
 Beta2  Fr= 1--      0.0376                 0.0058                 0.0051
 AlphaG Fr= 1--      0.0010                -0.0081                -0.0008
 Gamma2 Fr= 1--     -0.0697                 0.2743                 0.1044
 Delta2 Fr= 1--     -0.1310                 0.1795                 0.0323
 Raman1 Fr= 1--       3.851                  1.447                  0.196
 ROA1   Fr= 1--     -10.881                 32.082                 11.061
 CID1   Fr= 1--      -2.825                 22.172                 56.483
 Raman2 Fr= 1--       0.451                  0.070                  0.061
 ROA2   Fr= 1--      -0.624                  5.148                  2.248
 CID2   Fr= 1--      -1.383                 74.044                 37.048
 Raman3 Fr= 1--       0.903                  0.139                  0.121
 ROA3   Fr= 1--     -10.881                 32.082                 11.061
 CID3   Fr= 1--     -12.053                230.701                 91.138
 RC180  Fr= 1--      -0.531                 -0.808                  0.240
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.06   0.05    -0.03  -0.11   0.04     0.01   0.02  -0.01
     2   6    -0.05   0.03   0.00     0.01  -0.05   0.02     0.00   0.01  -0.01
     3   6    -0.05   0.08   0.11    -0.02  -0.13   0.08     0.01   0.02  -0.01
     4   6     0.00   0.05   0.12     0.00  -0.07   0.10     0.00   0.01  -0.02
     5   6     0.03   0.11   0.12     0.03  -0.10   0.07     0.00   0.02  -0.01
     6   6     0.02   0.09   0.06     0.04  -0.09   0.03     0.00   0.02  -0.01
     7   6    -0.08  -0.02  -0.10     0.01   0.06  -0.08     0.00  -0.01   0.01
     8   6    -0.08  -0.04  -0.04     0.02   0.05  -0.04    -0.00  -0.01   0.01
     9   6    -0.15  -0.10  -0.04     0.02  -0.00  -0.03    -0.01  -0.01   0.00
    10   6    -0.05  -0.01  -0.01     0.09   0.11   0.00    -0.02  -0.02  -0.00
    11   6    -0.01  -0.05   0.02    -0.01   0.02   0.03     0.00   0.00  -0.01
    12   6     0.04  -0.04  -0.01    -0.02   0.03   0.01     0.00  -0.00  -0.00
    13   8     0.12  -0.03  -0.03    -0.06  -0.03  -0.00    -0.00   0.02   0.01
    14   8     0.10  -0.03  -0.02    -0.07   0.09  -0.03     0.00  -0.03   0.02
    15   1    -0.11   0.05   0.03    -0.07  -0.12   0.02     0.01   0.03  -0.00
    16   1    -0.09   0.07   0.14    -0.04  -0.15   0.08     0.01   0.02  -0.01
    17   1     0.06   0.13   0.14     0.07  -0.11   0.08     0.00   0.02  -0.01
    18   1     0.05   0.10   0.03     0.06  -0.08   0.01     0.00   0.03  -0.00
    19   1    -0.15   0.06  -0.13    -0.06   0.14  -0.11     0.01  -0.02   0.01
    20   1    -0.06  -0.06  -0.18     0.10   0.04  -0.17    -0.01  -0.01   0.02
    21   1    -0.07  -0.03  -0.01     0.02   0.03  -0.03     0.00  -0.00   0.01
    22   1    -0.10  -0.16   0.04     0.10  -0.08   0.03    -0.04   0.02  -0.00
    23   1    -0.25  -0.15  -0.05    -0.09  -0.06  -0.06     0.02   0.01   0.01
    24   1    -0.15  -0.04  -0.09     0.04   0.09  -0.05    -0.02  -0.03   0.00
    25   1    -0.06  -0.04  -0.06     0.06   0.07  -0.10    -0.01  -0.02   0.02
    26   1     0.02   0.03  -0.02     0.23   0.19  -0.00    -0.04  -0.03  -0.00
    27   1    -0.08  -0.01   0.06     0.05   0.10   0.15    -0.01  -0.02  -0.03
    28   1    -0.12  -0.09  -0.01    -0.12  -0.01   0.00     0.01   0.01  -0.01
    29   6     0.18  -0.05  -0.14     0.01   0.14  -0.12    -0.00  -0.02   0.02
    30   1     0.19  -0.01  -0.05    -0.15   0.06  -0.07     0.00  -0.02   0.04
    31   1     0.15  -0.15  -0.30    -0.02   0.35  -0.38    -0.05   0.38  -0.35
    32   1     0.24  -0.03  -0.15    -0.22   0.08  -0.02    -0.38  -0.08   0.46
    33   1     0.32   0.02  -0.10     0.31   0.08  -0.09     0.42  -0.41  -0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --    247.8006               257.0280               269.1202
 Red. masses --      1.0980                 2.7068                 1.1202
 Frc consts  --      0.0397                 0.1054                 0.0478
 IR Inten    --      0.0684                 0.8410                 0.8045
 RamAct Fr= 1--      0.6710                 0.9466                 0.2894
  Dep-P Fr= 1--      0.3193                 0.7492                 0.0327
  Dep-U Fr= 1--      0.4841                 0.8566                 0.0633
 Alpha2 Fr= 1--      0.0065                 0.0000                 0.0060
 Beta2  Fr= 1--      0.0541                 0.1351                 0.0031
 AlphaG Fr= 1--      0.0218                 0.0001                 0.0072
 Gamma2 Fr= 1--     -0.0045                 0.5563                 0.0039
 Delta2 Fr= 1--     -0.0135                 0.3308                -0.0370
 Raman1 Fr= 1--       2.684                  3.786                  1.157
 ROA1   Fr= 1--      -0.863                 63.990                 -0.806
 CID1   Fr= 1--      -0.322                 16.900                 -0.697
 Raman2 Fr= 1--       0.650                  1.622                  0.037
 ROA2   Fr= 1--      -0.000                 10.704                  0.390
 CID2   Fr= 1--      -0.000                  6.600                 10.643
 Raman3 Fr= 1--       1.299                  3.244                  0.073
 ROA3   Fr= 1--      -0.863                 63.990                 -0.806
 CID3   Fr= 1--      -0.664                 19.728                -10.996
 RC180  Fr= 1--      -0.032                  0.713                 -0.873
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01   0.02    -0.06  -0.09  -0.05    -0.01  -0.01   0.00
     2   6     0.01  -0.00   0.02    -0.06  -0.05  -0.02    -0.01  -0.00   0.01
     3   6     0.02   0.02  -0.00    -0.05  -0.04  -0.03    -0.01  -0.01   0.00
     4   6     0.00   0.00  -0.02    -0.03   0.04   0.00    -0.02   0.01   0.01
     5   6    -0.01   0.00  -0.01    -0.05  -0.04  -0.02    -0.02  -0.00   0.00
     6   6    -0.00   0.00   0.02    -0.06  -0.09  -0.03    -0.02  -0.01   0.00
     7   6     0.01  -0.01   0.01    -0.05   0.02   0.02    -0.00   0.01  -0.00
     8   6     0.00   0.00  -0.01    -0.02   0.02   0.02     0.01   0.01  -0.00
     9   6     0.03  -0.00  -0.01     0.06   0.07   0.01     0.02  -0.01   0.00
    10   6    -0.04  -0.01  -0.01     0.05   0.05   0.03     0.03   0.01  -0.02
    11   6     0.00   0.00  -0.02    -0.01   0.05  -0.01    -0.02   0.01  -0.01
    12   6    -0.00   0.00  -0.01    -0.02   0.05  -0.02    -0.01   0.01  -0.01
    13   8    -0.00   0.02  -0.00     0.00   0.13   0.01    -0.00   0.04  -0.00
    14   8     0.00  -0.02   0.00     0.02   0.00   0.02     0.01  -0.01   0.00
    15   1     0.04   0.01   0.02    -0.06  -0.13  -0.06    -0.01  -0.02   0.00
    16   1     0.03   0.03  -0.01    -0.06  -0.05  -0.03    -0.01  -0.01  -0.00
    17   1    -0.02  -0.00  -0.02    -0.07  -0.04  -0.02    -0.02  -0.00   0.00
    18   1    -0.02   0.00   0.03    -0.06  -0.11  -0.05    -0.02  -0.02   0.00
    19   1    -0.01  -0.02   0.01    -0.02   0.02   0.03    -0.01   0.01  -0.00
    20   1     0.02   0.00   0.01    -0.04   0.03   0.03     0.00   0.01  -0.01
    21   1    -0.00   0.02  -0.03    -0.04  -0.04  -0.01     0.01   0.01  -0.00
    22   1     0.33  -0.25   0.05     0.27  -0.07  -0.02    -0.29   0.24  -0.07
    23   1    -0.33  -0.13  -0.02    -0.13   0.02   0.03     0.42   0.11  -0.03
    24   1     0.11   0.37  -0.06     0.13   0.32   0.02    -0.05  -0.42   0.10
    25   1    -0.17  -0.29  -0.28     0.11   0.20   0.13    -0.08  -0.20  -0.32
    26   1     0.33   0.13   0.00    -0.08   0.02   0.02     0.41   0.11  -0.00
    27   1    -0.33   0.13   0.28     0.20  -0.03  -0.05    -0.21   0.11   0.25
    28   1     0.01   0.01  -0.01    -0.02   0.09   0.00    -0.02   0.02  -0.00
    29   6    -0.02  -0.01   0.02     0.19  -0.14   0.03     0.03  -0.04   0.01
    30   1     0.01  -0.01   0.02     0.07   0.03   0.06     0.03   0.00   0.02
    31   1    -0.01  -0.01   0.04     0.16  -0.32  -0.08     0.02  -0.09  -0.00
    32   1    -0.02  -0.01   0.04     0.36  -0.06   0.19     0.08  -0.02   0.04
    33   1    -0.04  -0.04   0.01     0.26  -0.26   0.01     0.03  -0.07   0.00
                     13                     14                     15
                      A                      A                      A
 Frequencies --    281.9356               342.7546               352.7862
 Red. masses --      3.3470                 3.7261                 3.4106
 Frc consts  --      0.1567                 0.2579                 0.2501
 IR Inten    --      0.4993                 0.8138                 0.7419
 RamAct Fr= 1--      0.9957                 0.6067                 2.8012
  Dep-P Fr= 1--      0.3582                 0.6144                 0.4116
  Dep-U Fr= 1--      0.5274                 0.7612                 0.5832
 Alpha2 Fr= 1--      0.0085                 0.0015                 0.0199
 Beta2  Fr= 1--      0.0875                 0.0770                 0.2723
 AlphaG Fr= 1--      0.0029                 0.0057                -0.0038
 Gamma2 Fr= 1--     -0.3433                -0.4344                 0.6063
 Delta2 Fr= 1--     -0.0540                -0.7471                 0.2168
 Raman1 Fr= 1--       3.983                  2.427                 11.205
 ROA1   Fr= 1--     -34.685                -65.610                 65.140
 CID1   Fr= 1--      -8.709                -27.035                  5.814
 Raman2 Fr= 1--       1.050                  0.924                  3.267
 ROA2   Fr= 1--      -7.807                 -4.450                 12.816
 CID2   Fr= 1--      -7.433                 -4.818                  3.923
 Raman3 Fr= 1--       2.101                  1.847                  6.534
 ROA3   Fr= 1--     -34.685                -65.610                 65.140
 CID3   Fr= 1--     -16.512                -35.519                  9.969
 RC180  Fr= 1--       0.055                  0.522                  0.166
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.02   0.11    -0.04   0.07   0.01     0.02   0.06   0.02
     2   6     0.05  -0.04   0.13     0.05   0.11  -0.05    -0.01   0.17   0.09
     3   6     0.09  -0.01   0.02    -0.04  -0.09   0.09    -0.00  -0.11  -0.10
     4   6     0.01  -0.01  -0.02     0.00  -0.12   0.10     0.00  -0.09  -0.09
     5   6    -0.03   0.01   0.04     0.10  -0.09   0.05    -0.05  -0.11  -0.07
     6   6    -0.00  -0.01   0.12     0.11   0.05  -0.03    -0.03   0.06   0.04
     7   6     0.03   0.01  -0.05     0.06   0.06  -0.07    -0.03   0.08   0.08
     8   6     0.00   0.03  -0.11     0.06  -0.01   0.08    -0.00   0.06  -0.02
     9   6    -0.11  -0.12  -0.10     0.01   0.01   0.09    -0.04  -0.16   0.03
    10   6     0.04   0.13  -0.02    -0.08  -0.16  -0.04    -0.03  -0.02  -0.13
    11   6    -0.01   0.02  -0.09    -0.03   0.01  -0.04     0.05   0.01   0.02
    12   6    -0.02   0.03  -0.08    -0.02   0.06  -0.10     0.04   0.03   0.06
    13   8    -0.05   0.14  -0.02    -0.07   0.19  -0.03     0.01  -0.03   0.05
    14   8     0.00  -0.09  -0.00    -0.02  -0.04  -0.03    -0.03   0.12   0.02
    15   1     0.16  -0.03   0.14    -0.14   0.13  -0.01     0.07   0.06   0.04
    16   1     0.14  -0.01  -0.02    -0.10  -0.13   0.12    -0.00  -0.19  -0.14
    17   1    -0.08   0.04   0.02     0.20  -0.14   0.08    -0.11  -0.17  -0.12
    18   1    -0.06  -0.00   0.17     0.18   0.07  -0.08    -0.05   0.06   0.05
    19   1    -0.13   0.02  -0.08     0.04   0.25  -0.11    -0.07  -0.04   0.10
    20   1     0.16   0.03  -0.11    -0.00  -0.07  -0.23    -0.07   0.12   0.16
    21   1     0.01   0.06  -0.10     0.08   0.03   0.11    -0.00   0.06  -0.02
    22   1    -0.16  -0.13   0.08     0.03  -0.01   0.09    -0.03  -0.24   0.26
    23   1    -0.15  -0.19  -0.18    -0.03   0.01   0.11    -0.08  -0.32  -0.17
    24   1    -0.14  -0.19  -0.16     0.01   0.04   0.05    -0.05  -0.22   0.05
    25   1     0.12   0.29   0.15    -0.09  -0.24   0.00    -0.04  -0.02  -0.18
    26   1    -0.14   0.17  -0.04    -0.17  -0.36  -0.01    -0.02  -0.18  -0.09
    27   1     0.22   0.01  -0.06    -0.15  -0.04  -0.27    -0.05   0.03  -0.26
    28   1    -0.00   0.10  -0.07    -0.14   0.11  -0.04     0.10  -0.02   0.03
    29   6    -0.07  -0.07   0.06    -0.02  -0.06   0.00     0.12  -0.01   0.00
    30   1     0.01  -0.06   0.11    -0.05  -0.02   0.06    -0.12   0.07  -0.07
    31   1    -0.04  -0.10   0.20    -0.01  -0.14   0.08     0.10  -0.08  -0.07
    32   1    -0.01  -0.05   0.10     0.06  -0.03  -0.00     0.18   0.02   0.03
    33   1    -0.22  -0.16   0.02    -0.11  -0.07  -0.01     0.18  -0.01   0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    389.8100               406.7442               420.3844
 Red. masses --      2.5216                 1.9381                 3.3094
 Frc consts  --      0.2258                 0.1889                 0.3446
 IR Inten    --      1.4281                 0.0486                 1.1967
 RamAct Fr= 1--      1.6369                 1.1253                 1.9055
  Dep-P Fr= 1--      0.3017                 0.1356                 0.1094
  Dep-U Fr= 1--      0.4635                 0.2388                 0.1973
 Alpha2 Fr= 1--      0.0167                 0.0180                 0.0326
 Beta2  Fr= 1--      0.1265                 0.0448                 0.0627
 AlphaG Fr= 1--     -0.0074                -0.0167                 0.0677
 Gamma2 Fr= 1--     -0.1681                -0.1761                 1.6684
 Delta2 Fr= 1--     -0.2756                -0.0205                 0.3530
 Raman1 Fr= 1--       6.548                  4.501                  7.622
 ROA1   Fr= 1--     -24.958                -17.564                171.461
 CID1   Fr= 1--      -3.812                 -3.902                 22.496
 Raman2 Fr= 1--       1.517                  0.537                  0.752
 ROA2   Fr= 1--      -1.830                 -4.062                 37.217
 CID2   Fr= 1--      -1.206                 -7.560                 49.502
 Raman3 Fr= 1--       3.035                  1.075                  1.504
 ROA3   Fr= 1--     -24.958                -17.564                171.461
 CID3   Fr= 1--      -8.223                -16.343                114.030
 RC180  Fr= 1--      -0.073                 -0.522                 -0.605
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.08   0.02    -0.02   0.05  -0.03     0.00   0.18   0.04
     2   6     0.00   0.08   0.03     0.03   0.01  -0.08    -0.07   0.02   0.02
     3   6    -0.01  -0.07  -0.03    -0.03  -0.05   0.04    -0.02  -0.16  -0.08
     4   6    -0.00  -0.10  -0.04    -0.02  -0.01   0.06     0.07  -0.02  -0.00
     5   6    -0.00  -0.06  -0.02     0.05   0.04   0.03     0.04   0.13   0.09
     6   6     0.01   0.06   0.02     0.02  -0.02  -0.09    -0.02  -0.17  -0.03
     7   6    -0.02  -0.08  -0.01     0.07  -0.06   0.14    -0.11   0.00   0.01
     8   6     0.06  -0.13  -0.06     0.03   0.03  -0.05    -0.09  -0.02   0.01
     9   6    -0.05   0.09  -0.13    -0.03  -0.06  -0.04     0.02   0.02   0.01
    10   6    -0.01  -0.01   0.16     0.01   0.07  -0.00     0.01   0.00  -0.01
    11   6     0.02  -0.00  -0.00    -0.05  -0.02   0.02     0.12   0.04  -0.02
    12   6     0.02   0.03   0.02    -0.03   0.00  -0.01     0.07  -0.00  -0.07
    13   8    -0.01   0.02   0.03    -0.00   0.04  -0.01    -0.04  -0.01  -0.03
    14   8    -0.02   0.07   0.00    -0.00   0.00  -0.01     0.01  -0.10  -0.00
    15   1     0.02   0.12   0.04    -0.10   0.12  -0.05     0.06   0.35   0.12
    16   1    -0.02  -0.11  -0.04    -0.07  -0.09   0.05    -0.09  -0.36  -0.11
    17   1    -0.01  -0.08  -0.03     0.13   0.07   0.08     0.02   0.32   0.14
    18   1     0.02   0.08   0.02     0.05  -0.06  -0.14     0.00  -0.34  -0.13
    19   1    -0.07  -0.14  -0.01     0.28  -0.47   0.26    -0.11   0.02   0.00
    20   1    -0.09  -0.10   0.01    -0.06   0.16   0.54    -0.12  -0.01  -0.01
    21   1     0.06  -0.13  -0.06     0.04   0.06  -0.05    -0.11  -0.07  -0.01
    22   1    -0.15   0.20  -0.28    -0.03  -0.10   0.10     0.06   0.02  -0.09
    23   1    -0.07   0.26   0.12    -0.10  -0.13  -0.11     0.08   0.03   0.01
    24   1    -0.10   0.10  -0.33    -0.04  -0.07  -0.09     0.05   0.03   0.12
    25   1    -0.01  -0.13   0.32     0.01   0.06   0.02     0.01   0.07  -0.09
    26   1    -0.06   0.30   0.10     0.01   0.14  -0.02     0.09   0.01   0.00
    27   1    -0.06  -0.03   0.38     0.02   0.05   0.05     0.04  -0.04   0.05
    28   1     0.02  -0.01  -0.00    -0.10  -0.01   0.01     0.10   0.11  -0.01
    29   6     0.04  -0.02  -0.00    -0.02  -0.02  -0.02     0.04   0.09   0.04
    30   1    -0.09   0.04  -0.04     0.06   0.02  -0.02    -0.16  -0.11   0.15
    31   1     0.03  -0.07  -0.03    -0.03  -0.05  -0.04     0.06   0.16   0.13
    32   1     0.09  -0.01   0.01    -0.01  -0.02  -0.03    -0.01   0.07   0.01
    33   1     0.05  -0.03  -0.00    -0.01  -0.00  -0.01    -0.03   0.09   0.03
                     19                     20                     21
                      A                      A                      A
 Frequencies --    426.6512               475.1605               561.8093
 Red. masses --      3.2221                 3.3424                 2.9733
 Frc consts  --      0.3456                 0.4446                 0.5529
 IR Inten    --      1.9970                 3.4841                32.4741
 RamAct Fr= 1--      2.3466                 1.0308                 0.1126
  Dep-P Fr= 1--      0.1063                 0.1195                 0.7213
  Dep-U Fr= 1--      0.1921                 0.2136                 0.8381
 Alpha2 Fr= 1--      0.0405                 0.0172                 0.0001
 Beta2  Fr= 1--      0.0751                 0.0367                 0.0157
 AlphaG Fr= 1--     -0.0685                 0.0010                 0.0013
 Gamma2 Fr= 1--     -0.9076                -0.1621                 0.0556
 Delta2 Fr= 1--      0.0129                -0.1469                -0.0593
 Raman1 Fr= 1--       9.386                  4.123                  0.451
 ROA1   Fr= 1--     -86.721                -20.265                  3.435
 CID1   Fr= 1--      -9.239                 -4.915                  7.623
 Raman2 Fr= 1--       0.902                  0.440                  0.189
 ROA2   Fr= 1--     -21.887                 -2.716                  1.808
 CID2   Fr= 1--     -24.272                 -6.170                  9.575
 Raman3 Fr= 1--       1.803                  0.881                  0.378
 ROA3   Fr= 1--     -86.721                -20.265                  3.435
 CID3   Fr= 1--     -48.085                -23.015                  9.095
 RC180  Fr= 1--      -0.616                 -0.573                  0.676
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.08   0.10    -0.04  -0.06   0.00     0.01  -0.06  -0.07
     2   6     0.07  -0.05   0.03     0.02   0.11   0.05    -0.04   0.16   0.05
     3   6     0.00  -0.09  -0.05    -0.05  -0.03  -0.01     0.04   0.02  -0.00
     4   6    -0.08   0.04  -0.03    -0.04   0.15   0.04     0.11   0.18   0.08
     5   6    -0.03   0.17  -0.01    -0.07  -0.01  -0.03     0.06   0.00   0.06
     6   6    -0.04  -0.14  -0.04    -0.06  -0.05  -0.03     0.03  -0.10  -0.00
     7   6     0.11   0.02  -0.08     0.07   0.08   0.01    -0.10   0.07   0.04
     8   6     0.09   0.02   0.02     0.21   0.01  -0.02     0.01  -0.02  -0.01
     9   6     0.00   0.02   0.01    -0.03  -0.02  -0.05    -0.01  -0.01  -0.03
    10   6    -0.02  -0.04  -0.01    -0.02  -0.05   0.03    -0.00  -0.03   0.02
    11   6    -0.12  -0.05   0.02    -0.02   0.09   0.07     0.05  -0.06  -0.10
    12   6    -0.08  -0.00   0.09    -0.03  -0.01  -0.05     0.01  -0.03   0.04
    13   8     0.06  -0.01   0.04    -0.01  -0.06  -0.08     0.02   0.02   0.06
    14   8    -0.01   0.12   0.01     0.04  -0.15   0.02    -0.02   0.07  -0.02
    15   1     0.07   0.22   0.14    -0.07  -0.20  -0.05     0.01  -0.37  -0.16
    16   1     0.07  -0.20  -0.15    -0.04  -0.16  -0.08    -0.05  -0.24  -0.06
    17   1    -0.01   0.32   0.05    -0.09  -0.14  -0.08     0.00  -0.25  -0.04
    18   1    -0.14  -0.28  -0.03    -0.13  -0.20  -0.05     0.06  -0.38  -0.17
    19   1     0.02   0.22  -0.14    -0.01   0.07   0.00    -0.14   0.03   0.04
    20   1     0.19  -0.07  -0.27     0.02   0.03  -0.02    -0.17   0.05   0.05
    21   1     0.11   0.07   0.03     0.21   0.02  -0.02    -0.01  -0.09  -0.03
    22   1    -0.01   0.01   0.07    -0.15   0.02   0.13    -0.03   0.01  -0.02
    23   1    -0.05   0.01   0.04    -0.16  -0.01   0.01    -0.02   0.01  -0.00
    24   1    -0.02   0.02  -0.07    -0.11  -0.07  -0.32    -0.02  -0.02  -0.08
    25   1    -0.03  -0.11   0.06    -0.05  -0.28   0.21    -0.01  -0.07   0.05
    26   1    -0.09  -0.09  -0.00    -0.17  -0.02   0.01    -0.02  -0.00   0.01
    27   1    -0.08   0.03  -0.11    -0.17   0.08  -0.06    -0.03  -0.01   0.03
    28   1    -0.08  -0.15   0.01    -0.02   0.14   0.08     0.02  -0.16  -0.12
    29   6    -0.04  -0.10  -0.05     0.06   0.12   0.06    -0.10  -0.09  -0.07
    30   1     0.20   0.13  -0.18     0.20  -0.07   0.21    -0.05   0.02  -0.19
    31   1    -0.06  -0.17  -0.15     0.05   0.11  -0.00    -0.06   0.04   0.11
    32   1     0.02  -0.07  -0.01     0.06   0.11   0.02    -0.20  -0.12  -0.01
    33   1     0.04  -0.11  -0.04     0.11   0.18   0.08    -0.25  -0.21  -0.11
                     22                     23                     24
                      A                      A                      A
 Frequencies --    574.6024               626.7040               643.7009
 Red. masses --      1.9074                 2.0760                 2.7198
 Frc consts  --      0.3710                 0.4804                 0.6640
 IR Inten    --     34.4608                36.9723                33.0647
 RamAct Fr= 1--      0.8111                 1.5684                 2.6954
  Dep-P Fr= 1--      0.6117                 0.3822                 0.7101
  Dep-U Fr= 1--      0.7591                 0.5530                 0.8305
 Alpha2 Fr= 1--      0.0021                 0.0124                 0.0019
 Beta2  Fr= 1--      0.1026                 0.1446                 0.3731
 AlphaG Fr= 1--      0.0092                 0.0142                -0.0052
 Gamma2 Fr= 1--     -0.2753                -0.8618                -0.2978
 Delta2 Fr= 1--     -0.0122                 0.2444                -0.3156
 Raman1 Fr= 1--       3.244                  6.274                 10.781
 ROA1   Fr= 1--     -26.816                -74.909                -38.690
 CID1   Fr= 1--      -8.265                -11.940                 -3.589
 Raman2 Fr= 1--       1.231                  1.735                  4.477
 ROA2   Fr= 1--      -6.508                -22.637                 -4.623
 CID2   Fr= 1--      -5.286                -13.050                 -1.033
 Raman3 Fr= 1--       2.463                  3.469                  8.954
 ROA3   Fr= 1--     -26.816                -74.909                -38.690
 CID3   Fr= 1--     -10.889                -21.592                 -4.321
 RC180  Fr= 1--       0.518                  0.106                  0.661
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.02   0.01    -0.04  -0.02  -0.02     0.06   0.02  -0.09
     2   6     0.05   0.07   0.03    -0.07  -0.06  -0.00    -0.04  -0.02  -0.06
     3   6     0.04  -0.05  -0.02    -0.03   0.05  -0.04     0.09  -0.03   0.06
     4   6     0.01   0.05   0.01     0.05  -0.07  -0.05     0.03  -0.07   0.03
     5   6     0.04  -0.04  -0.05     0.03   0.02   0.02    -0.07  -0.03   0.12
     6   6     0.06   0.03   0.00     0.01  -0.05   0.04    -0.09   0.02  -0.03
     7   6    -0.02  -0.05  -0.01    -0.04   0.07   0.04    -0.02   0.03  -0.00
     8   6    -0.12  -0.03   0.00     0.08   0.02  -0.00     0.04   0.01   0.00
     9   6    -0.00   0.01   0.01     0.00  -0.01  -0.02     0.00  -0.00  -0.01
    10   6    -0.00   0.01  -0.00     0.01  -0.02   0.01     0.00  -0.01   0.00
    11   6    -0.06   0.01   0.06     0.08  -0.06   0.03     0.02   0.09  -0.13
    12   6    -0.13  -0.01   0.01    -0.03  -0.06  -0.00     0.03   0.08   0.01
    13   8     0.00   0.02  -0.03    -0.01   0.09   0.05    -0.02  -0.11  -0.05
    14   8    -0.03  -0.04   0.01    -0.07  -0.02  -0.07    -0.04   0.03   0.13
    15   1     0.06  -0.07  -0.02     0.04   0.10   0.05     0.03   0.13  -0.07
    16   1     0.06  -0.18  -0.10    -0.04   0.22   0.04     0.03   0.05   0.15
    17   1     0.05  -0.19  -0.09    -0.02   0.21   0.06    -0.03   0.07   0.17
    18   1     0.04  -0.06  -0.03     0.05   0.10   0.08     0.00   0.13  -0.05
    19   1    -0.04  -0.04  -0.02    -0.04   0.05   0.04    -0.01   0.06  -0.00
    20   1    -0.03  -0.05  -0.01    -0.04   0.07   0.03    -0.02   0.01  -0.03
    21   1    -0.11  -0.01   0.01     0.06  -0.06  -0.03     0.02  -0.02  -0.01
    22   1     0.07  -0.01  -0.14    -0.07   0.01   0.11    -0.03   0.01   0.04
    23   1     0.08   0.03   0.00    -0.06  -0.02  -0.01    -0.03  -0.01  -0.00
    24   1     0.05   0.06   0.16    -0.04  -0.06  -0.15    -0.02  -0.02  -0.06
    25   1     0.02   0.16  -0.09    -0.02  -0.14   0.08    -0.01  -0.06   0.03
    26   1     0.08   0.03   0.00    -0.06  -0.03   0.00    -0.02  -0.02   0.00
    27   1     0.10  -0.09   0.08    -0.08   0.07  -0.05    -0.04   0.03  -0.03
    28   1    -0.02   0.01   0.07     0.13  -0.05   0.05    -0.03   0.05  -0.15
    29   6     0.01   0.03   0.02     0.03   0.03   0.03    -0.02  -0.02  -0.03
    30   1     0.77   0.14  -0.14     0.63   0.08  -0.42     0.72   0.22   0.09
    31   1    -0.01   0.01  -0.07     0.04   0.14   0.03     0.01  -0.07   0.11
    32   1     0.00   0.02  -0.04    -0.08  -0.03  -0.09     0.07   0.04   0.15
    33   1     0.09   0.11   0.05     0.05   0.13   0.05    -0.15  -0.23  -0.10
                     25                     26                     27
                      A                      A                      A
 Frequencies --    665.9918               708.2046               759.2806
 Red. masses --      5.0120                 2.9520                 4.0275
 Frc consts  --      1.3098                 0.8724                 1.3680
 IR Inten    --      8.6141                35.4656                12.7880
 RamAct Fr= 1--      4.8358                 0.1544                 8.6480
  Dep-P Fr= 1--      0.5374                 0.6446                 0.0065
  Dep-U Fr= 1--      0.6991                 0.7839                 0.0130
 Alpha2 Fr= 1--      0.0198                 0.0003                 0.1893
 Beta2  Fr= 1--      0.5635                 0.0202                 0.0187
 AlphaG Fr= 1--     -0.0547                -0.0041                 0.0066
 Gamma2 Fr= 1--      0.0577                 0.4264                 0.2555
 Delta2 Fr= 1--     -0.0067                -0.0377                -0.0383
 Raman1 Fr= 1--      19.343                  0.617                 34.592
 ROA1   Fr= 1--       5.321                 39.728                 23.300
 CID1   Fr= 1--       0.275                 64.345                  0.674
 Raman2 Fr= 1--       6.762                  0.242                  0.225
 ROA2   Fr= 1--       1.437                 10.535                  6.437
 CID2   Fr= 1--       0.213                 43.533                 28.641
 Raman3 Fr= 1--      13.524                  0.484                  0.450
 ROA3   Fr= 1--       5.321                 39.728                 23.300
 CID3   Fr= 1--       0.393                 82.084                 51.835
 RC180  Fr= 1--       0.398                  0.568                 -0.974
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.19  -0.04   0.16     0.09  -0.05  -0.08    -0.01  -0.14   0.05
     2   6    -0.01  -0.04   0.07    -0.03   0.01   0.01     0.10   0.19   0.07
     3   6    -0.21   0.07  -0.10     0.11   0.02  -0.02     0.02   0.09   0.12
     4   6     0.01   0.01  -0.08     0.01  -0.09  -0.03    -0.11  -0.18  -0.06
     5   6     0.20   0.02  -0.14     0.08   0.02   0.01     0.00   0.15  -0.05
     6   6     0.23  -0.08   0.12     0.06  -0.07  -0.01    -0.03  -0.07  -0.13
     7   6    -0.02   0.01   0.03    -0.13   0.15   0.07     0.04   0.06   0.02
     8   6     0.01   0.00  -0.00    -0.01  -0.01  -0.00    -0.10  -0.03   0.00
     9   6    -0.00  -0.00  -0.00    -0.00  -0.02  -0.07    -0.02  -0.02  -0.06
    10   6     0.01  -0.01   0.01     0.01  -0.06   0.03    -0.01  -0.05   0.03
    11   6    -0.00   0.08  -0.11    -0.12   0.00   0.10    -0.01  -0.00   0.01
    12   6     0.03   0.12  -0.01    -0.14   0.04   0.01     0.21   0.02  -0.05
    13   8    -0.03  -0.11  -0.09     0.02   0.00  -0.09    -0.05  -0.01   0.05
    14   8     0.00   0.04   0.14     0.07   0.01   0.03    -0.07  -0.02  -0.00
    15   1    -0.10  -0.02   0.20     0.19   0.09   0.01    -0.12  -0.35  -0.06
    16   1    -0.16   0.12  -0.11     0.16   0.28   0.06     0.13   0.22   0.09
    17   1     0.13   0.11  -0.14     0.14   0.27   0.12     0.11   0.25   0.02
    18   1     0.20  -0.03   0.17     0.14   0.10   0.00    -0.16  -0.31  -0.15
    19   1     0.03  -0.11   0.07    -0.15   0.15   0.07    -0.00   0.07   0.01
    20   1    -0.05   0.08   0.14    -0.13   0.13   0.05     0.01   0.05   0.03
    21   1     0.01  -0.03  -0.00    -0.06  -0.17  -0.06    -0.08   0.03   0.02
    22   1    -0.02  -0.00   0.02    -0.04  -0.00  -0.03     0.07  -0.03  -0.21
    23   1    -0.01  -0.01  -0.00    -0.02  -0.02  -0.06     0.06   0.01  -0.07
    24   1    -0.01  -0.02  -0.02    -0.02  -0.04  -0.11     0.04   0.04   0.09
    25   1    -0.00  -0.04   0.03    -0.00  -0.11   0.06     0.02   0.10  -0.05
    26   1    -0.01  -0.01   0.01    -0.01  -0.06   0.03     0.08  -0.03   0.04
    27   1    -0.01   0.01  -0.00    -0.03  -0.03   0.03     0.11  -0.16   0.12
    28   1    -0.04   0.04  -0.13    -0.07   0.01   0.11    -0.05   0.12   0.03
    29   6    -0.04  -0.04  -0.06    -0.03  -0.01   0.01     0.01   0.01   0.01
    30   1     0.33   0.16   0.30    -0.34  -0.02   0.34     0.25   0.03  -0.16
    31   1    -0.02  -0.12   0.04    -0.08  -0.14  -0.21    -0.01  -0.08  -0.06
    32   1     0.06   0.02   0.12     0.05   0.00  -0.08     0.10   0.04   0.01
    33   1    -0.15  -0.24  -0.12     0.16   0.12   0.06     0.08   0.04   0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --    785.5583               822.9498               832.2749
 Red. masses --      3.0906                 3.3060                 2.5160
 Frc consts  --      1.1237                 1.3192                 1.0268
 IR Inten    --      1.3590                 9.3489                 0.9230
 RamAct Fr= 1--     28.7610                 3.1219                 9.9042
  Dep-P Fr= 1--      0.0226                 0.1934                 0.1079
  Dep-U Fr= 1--      0.0442                 0.3241                 0.1949
 Alpha2 Fr= 1--      0.6061                 0.0431                 0.1701
 Beta2  Fr= 1--      0.2121                 0.1686                 0.3217
 AlphaG Fr= 1--     -0.0256                -0.0194                 0.0340
 Gamma2 Fr= 1--     -1.2373                 0.2411                 0.9700
 Delta2 Fr= 1--     -0.0642                 0.1193                 0.0887
 Raman1 Fr= 1--     115.044                 12.488                 39.617
 ROA1   Fr= 1--    -120.832                 26.965                 95.958
 CID1   Fr= 1--      -1.050                  2.159                  2.422
 Raman2 Fr= 1--       2.545                  2.024                  3.860
 ROA2   Fr= 1--     -29.181                  4.833                 22.571
 CID2   Fr= 1--     -11.467                  2.388                  5.847
 Raman3 Fr= 1--       5.090                  4.047                  7.720
 ROA3   Fr= 1--    -120.832                 26.965                 95.958
 CID3   Fr= 1--     -23.741                  6.663                 12.430
 RC180  Fr= 1--      -0.912                 -0.352                 -0.610
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.08     0.06   0.05  -0.00    -0.03   0.04  -0.05
     2   6     0.03  -0.11  -0.05    -0.04  -0.13  -0.03    -0.01  -0.03  -0.01
     3   6    -0.01  -0.09   0.04     0.05  -0.01  -0.03    -0.05   0.06  -0.06
     4   6    -0.03   0.13   0.05    -0.02   0.08   0.04     0.04  -0.03  -0.01
     5   6    -0.01  -0.05  -0.08     0.03   0.01  -0.04    -0.04   0.02   0.09
     6   6    -0.00   0.05  -0.04     0.03   0.06   0.01    -0.04   0.02   0.07
     7   6     0.03   0.19   0.07    -0.10   0.02   0.03     0.13   0.04   0.00
     8   6    -0.11   0.02   0.02     0.04   0.01   0.00    -0.06   0.04   0.02
     9   6    -0.01  -0.03  -0.16     0.02   0.01   0.01    -0.01  -0.01  -0.10
    10   6     0.02  -0.13   0.10     0.01   0.02  -0.01     0.00  -0.07   0.07
    11   6     0.01   0.04  -0.06    -0.09  -0.03   0.14     0.07  -0.11   0.07
    12   6     0.03  -0.04   0.02     0.28   0.06  -0.10    -0.02   0.06  -0.05
    13   8     0.02  -0.01   0.06    -0.07  -0.01   0.02    -0.03   0.02  -0.08
    14   8    -0.01  -0.02  -0.04    -0.06  -0.02   0.02     0.01   0.04   0.07
    15   1    -0.03   0.32   0.16     0.12   0.01   0.01    -0.02  -0.12  -0.10
    16   1     0.04  -0.05   0.02     0.07  -0.24  -0.16    -0.15  -0.11  -0.07
    17   1     0.06   0.02  -0.03     0.01  -0.33  -0.16    -0.19  -0.28  -0.06
    18   1    -0.01   0.36   0.11     0.02  -0.03  -0.03    -0.06  -0.25  -0.04
    19   1     0.14   0.22   0.08    -0.10   0.06   0.02     0.21   0.11   0.00
    20   1     0.12   0.24   0.08    -0.06   0.01  -0.02     0.23   0.07  -0.01
    21   1    -0.12  -0.04  -0.00    -0.01  -0.14  -0.06    -0.02   0.16   0.06
    22   1     0.05  -0.06  -0.23    -0.06   0.03   0.14     0.07  -0.06  -0.17
    23   1     0.06  -0.06  -0.23    -0.06  -0.01   0.02     0.06  -0.05  -0.20
    24   1     0.03  -0.01  -0.03    -0.03  -0.05  -0.12     0.03   0.01   0.05
    25   1     0.03  -0.03   0.01    -0.01  -0.10   0.05     0.02   0.05  -0.04
    26   1     0.10  -0.20   0.12    -0.05   0.01  -0.02     0.10  -0.16   0.09
    27   1     0.09  -0.19   0.12    -0.08   0.10  -0.07     0.10  -0.15   0.07
    28   1    -0.04  -0.01  -0.08    -0.12   0.24   0.19     0.14  -0.05   0.10
    29   6     0.01   0.02  -0.01    -0.08  -0.08  -0.02    -0.00  -0.06   0.00
    30   1    -0.01  -0.05  -0.18     0.17   0.04  -0.02     0.06   0.10   0.26
    31   1     0.03   0.04   0.12    -0.14  -0.20  -0.32    -0.00   0.11  -0.06
    32   1     0.02   0.04   0.11     0.00  -0.08  -0.21    -0.20  -0.17  -0.26
    33   1    -0.11  -0.12  -0.06     0.19   0.18   0.08     0.06   0.18   0.06
                     31                     32                     33
                      A                      A                      A
 Frequencies --    856.0954               857.7443               869.9837
 Red. masses --      1.3089                 3.2313                 1.7783
 Frc consts  --      0.5652                 1.4007                 0.7930
 IR Inten    --      1.6830                 5.8184                23.1868
 RamAct Fr= 1--      2.0481                11.2593                 3.0898
  Dep-P Fr= 1--      0.2990                 0.2128                 0.0617
  Dep-U Fr= 1--      0.4604                 0.3509                 0.1162
 Alpha2 Fr= 1--      0.0211                 0.1478                 0.0594
 Beta2  Fr= 1--      0.1572                 0.6585                 0.0598
 AlphaG Fr= 1--     -0.0198                -0.0718                 0.0042
 Gamma2 Fr= 1--     -0.6286                 0.4424                 0.4978
 Delta2 Fr= 1--     -0.4607                -0.2347                 0.6232
 Raman1 Fr= 1--       8.193                 45.037                 12.359
 ROA1   Fr= 1--     -75.088                 34.958                 67.732
 CID1   Fr= 1--      -9.165                  0.776                  5.480
 Raman2 Fr= 1--       1.886                  7.902                  0.718
 ROA2   Fr= 1--     -11.401                 12.495                  6.962
 CID2   Fr= 1--      -6.045                  1.581                  9.696
 Raman3 Fr= 1--       3.772                 15.804                  1.436
 ROA3   Fr= 1--     -75.088                 34.958                 67.732
 CID3   Fr= 1--     -19.908                  2.212                 47.163
 RC180  Fr= 1--      -0.079                 -0.298                 -0.768
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.06   0.01    -0.01  -0.04   0.15    -0.02  -0.09  -0.04
     2   6     0.00   0.02   0.01     0.02  -0.05  -0.02     0.02   0.10   0.04
     3   6    -0.00   0.06   0.01     0.05  -0.05   0.15    -0.02  -0.08  -0.05
     4   6     0.01   0.03   0.01    -0.03   0.00   0.01     0.03   0.11   0.04
     5   6    -0.02  -0.09  -0.03     0.01   0.06  -0.14    -0.02  -0.04  -0.01
     6   6    -0.02  -0.07  -0.02    -0.06   0.07  -0.14    -0.02  -0.04  -0.01
     7   6     0.02  -0.01   0.01    -0.11   0.02   0.02     0.05  -0.02  -0.01
     8   6    -0.00  -0.01  -0.00     0.03  -0.01  -0.01    -0.01  -0.04  -0.01
     9   6    -0.00  -0.00  -0.00     0.01   0.01   0.04    -0.01  -0.01   0.03
    10   6    -0.01   0.00  -0.00     0.01   0.03  -0.03    -0.02   0.01  -0.03
    11   6     0.01  -0.02   0.03     0.16  -0.13   0.01     0.03  -0.03   0.05
    12   6     0.02   0.01  -0.02    -0.08   0.05  -0.03     0.05   0.02  -0.03
    13   8    -0.01   0.00  -0.01    -0.02   0.03  -0.08    -0.02   0.01  -0.02
    14   8    -0.00   0.01   0.01     0.02   0.06   0.06    -0.01   0.01   0.02
    15   1    -0.05  -0.36  -0.14    -0.14  -0.03   0.11     0.07   0.57   0.20
    16   1    -0.07  -0.36  -0.14     0.13  -0.15   0.04     0.05   0.52   0.19
    17   1     0.06   0.56   0.21     0.10  -0.07  -0.14    -0.01   0.21   0.08
    18   1     0.06   0.50   0.19    -0.16   0.06  -0.07    -0.00   0.21   0.09
    19   1    -0.01   0.03  -0.01    -0.13   0.01   0.02    -0.03  -0.04  -0.02
    20   1     0.02  -0.04  -0.04    -0.13   0.00   0.01    -0.01  -0.06  -0.03
    21   1     0.01   0.03  -0.00    -0.02  -0.17  -0.06     0.02   0.07   0.02
    22   1     0.00  -0.00  -0.01    -0.05   0.03   0.11     0.02  -0.00  -0.06
    23   1     0.01   0.00   0.01    -0.05   0.01   0.08     0.02   0.04   0.07
    24   1     0.00   0.01   0.00    -0.03  -0.03  -0.08     0.01   0.04   0.07
    25   1     0.00   0.04  -0.02    -0.01  -0.07   0.04     0.00   0.09  -0.03
    26   1     0.01   0.01  -0.00    -0.06   0.06  -0.04     0.01   0.08  -0.04
    27   1     0.02  -0.02   0.01    -0.07   0.09  -0.04     0.03  -0.04   0.04
    28   1     0.01   0.00   0.03     0.23  -0.19   0.01     0.04   0.04   0.07
    29   6    -0.01  -0.02  -0.01     0.06  -0.05   0.00    -0.03  -0.07  -0.02
    30   1     0.02   0.02   0.03     0.04   0.10   0.24     0.04   0.03   0.06
    31   1    -0.01   0.02  -0.03     0.11   0.33   0.18    -0.03   0.06  -0.04
    32   1    -0.06  -0.05  -0.07    -0.31  -0.20  -0.22    -0.15  -0.13  -0.18
    33   1     0.00   0.04   0.01    -0.09   0.12   0.02     0.00   0.09   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --    900.7413               942.7612               958.7782
 Red. masses --      1.5468                 1.2134                 1.5498
 Frc consts  --      0.7394                 0.6354                 0.8394
 IR Inten    --      0.1895                 0.3212                 0.0395
 RamAct Fr= 1--      1.0014                 0.6896                 4.8510
  Dep-P Fr= 1--      0.6045                 0.5204                 0.7500
  Dep-U Fr= 1--      0.7535                 0.6846                 0.8571
 Alpha2 Fr= 1--      0.0027                 0.0031                 0.0000
 Beta2  Fr= 1--      0.1258                 0.0787                 0.6930
 AlphaG Fr= 1--     -0.0006                 0.0028                 0.0007
 Gamma2 Fr= 1--      0.1760                -0.3322                 0.3185
 Delta2 Fr= 1--      0.3416                -0.2251                -0.8418
 Raman1 Fr= 1--       4.006                  2.758                 19.404
 ROA1   Fr= 1--      27.824                -39.095                  3.642
 CID1   Fr= 1--       6.946                -14.173                  0.188
 Raman2 Fr= 1--       1.509                  0.944                  8.316
 ROA2   Fr= 1--       1.491                 -6.172                 14.379
 CID2   Fr= 1--       0.988                 -6.537                  1.729
 Raman3 Fr= 1--       3.018                  1.888                 16.631
 ROA3   Fr= 1--      27.824                -39.095                  3.642
 CID3   Fr= 1--       9.219                -20.703                  0.219
 RC180  Fr= 1--       0.507                  0.369                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01  -0.03     0.00  -0.01   0.01     0.00  -0.00   0.01
     2   6     0.00  -0.01   0.01    -0.00   0.00  -0.01    -0.01   0.00   0.00
     3   6    -0.03   0.00  -0.01     0.01  -0.00   0.00     0.01  -0.03   0.01
     4   6     0.00  -0.01   0.01    -0.00   0.00  -0.01     0.00   0.02   0.01
     5   6     0.03   0.01  -0.01    -0.01  -0.00   0.00    -0.01  -0.09  -0.05
     6   6     0.01   0.02  -0.03    -0.00  -0.00   0.01     0.01   0.10   0.03
     7   6     0.02  -0.06   0.16    -0.01   0.03  -0.06    -0.04  -0.07  -0.02
     8   6     0.01  -0.02   0.05     0.00  -0.01   0.02     0.01   0.08   0.03
     9   6     0.05  -0.01  -0.05     0.05  -0.06   0.01     0.01   0.04  -0.06
    10   6    -0.05   0.04  -0.02    -0.04   0.04   0.06     0.02  -0.01   0.06
    11   6    -0.00   0.00  -0.01     0.00   0.00   0.00     0.01   0.01   0.01
    12   6    -0.01  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   8     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1    -0.03   0.03  -0.03     0.01  -0.01   0.02    -0.01  -0.04  -0.00
    16   1    -0.06   0.03   0.04     0.03  -0.00  -0.01     0.04   0.13   0.06
    17   1     0.07  -0.06  -0.01    -0.03   0.01   0.00     0.09   0.56   0.19
    18   1     0.02  -0.02  -0.06    -0.01  -0.01   0.02    -0.08  -0.56  -0.22
    19   1    -0.16   0.49   0.01     0.08  -0.20  -0.00    -0.05  -0.05  -0.02
    20   1     0.12  -0.36  -0.35    -0.06   0.14   0.15    -0.04  -0.07  -0.01
    21   1    -0.02   0.07  -0.20    -0.03   0.10  -0.27     0.01   0.09   0.03
    22   1    -0.10   0.04   0.14    -0.11   0.11  -0.15     0.01  -0.02   0.13
    23   1    -0.13  -0.02   0.01    -0.12   0.17   0.41     0.00  -0.10  -0.25
    24   1    -0.05  -0.09  -0.33    -0.03   0.06  -0.37    -0.01  -0.07  -0.01
    25   1    -0.01   0.29  -0.19    -0.05   0.20  -0.31    -0.01  -0.05  -0.04
    26   1     0.13   0.02  -0.00     0.19  -0.39   0.16     0.05  -0.23   0.11
    27   1     0.13  -0.11   0.05     0.07   0.03  -0.20    -0.02   0.06  -0.11
    28   1    -0.03  -0.02  -0.02     0.01   0.01   0.01     0.02   0.02   0.01
    29   6     0.00   0.01  -0.00    -0.00  -0.00   0.00    -0.01  -0.02  -0.01
    30   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   1     0.01   0.00   0.03    -0.01  -0.00  -0.01    -0.01   0.01  -0.01
    32   1     0.01   0.02   0.03    -0.00  -0.00  -0.01    -0.03  -0.03  -0.03
    33   1    -0.03  -0.03  -0.02     0.01   0.01   0.01    -0.01   0.01  -0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --    970.0690               973.8051               982.0901
 Red. masses --      1.6845                 1.5729                 1.4181
 Frc consts  --      0.9339                 0.8788                 0.8058
 IR Inten    --      0.2446                 0.0142                 0.0483
 RamAct Fr= 1--      3.8720                 3.0562                 0.3470
  Dep-P Fr= 1--      0.6967                 0.6872                 0.6248
  Dep-U Fr= 1--      0.8212                 0.8146                 0.7691
 Alpha2 Fr= 1--      0.0036                 0.0034                 0.0008
 Beta2  Fr= 1--      0.5300                 0.4149                 0.0445
 AlphaG Fr= 1--      0.0286                 0.0014                -0.0028
 Gamma2 Fr= 1--     -1.6768                -0.2316                 0.6712
 Delta2 Fr= 1--      0.4813                 0.1321                 0.0067
 Raman1 Fr= 1--      15.488                 12.225                  1.388
 ROA1   Fr= 1--    -145.572                -18.005                 64.645
 CID1   Fr= 1--      -9.399                 -1.473                 46.577
 Raman2 Fr= 1--       6.360                  4.979                  0.534
 ROA2   Fr= 1--     -44.093                 -6.614                 16.054
 CID2   Fr= 1--      -6.933                 -1.328                 30.080
 Raman3 Fr= 1--      12.719                  9.958                  1.067
 ROA3   Fr= 1--    -145.572                -18.005                 64.645
 CID3   Fr= 1--     -11.445                 -1.808                 60.560
 RC180  Fr= 1--       0.642                  0.629                  0.538
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03   0.02     0.00  -0.00   0.01    -0.01  -0.11  -0.05
     2   6    -0.01   0.04   0.02    -0.00   0.00  -0.00    -0.01   0.03   0.01
     3   6     0.01  -0.06  -0.00     0.01  -0.00   0.00     0.02   0.10   0.04
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.01  -0.02  -0.00
     5   6     0.02   0.07   0.01    -0.00   0.00   0.00     0.01   0.01  -0.01
     6   6    -0.01  -0.08  -0.04    -0.00  -0.01   0.00     0.00  -0.02  -0.00
     7   6    -0.05  -0.11  -0.03    -0.01   0.01  -0.05    -0.02  -0.05  -0.02
     8   6     0.01   0.10   0.04    -0.01   0.05  -0.10     0.01   0.04   0.02
     9   6     0.00   0.04  -0.07     0.05   0.09   0.09    -0.00   0.02  -0.03
    10   6     0.02  -0.00   0.08    -0.03  -0.13   0.02     0.00  -0.00   0.03
    11   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.02  -0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   8     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    15   1    -0.03  -0.22  -0.07     0.00  -0.01   0.01     0.09   0.62   0.22
    16   1     0.06   0.30   0.12     0.02   0.00  -0.00    -0.06  -0.60  -0.23
    17   1    -0.02  -0.35  -0.14    -0.02  -0.02  -0.01    -0.00  -0.05  -0.03
    18   1     0.07   0.48   0.17     0.00   0.04   0.02     0.02   0.09   0.04
    19   1    -0.10  -0.11  -0.04     0.01  -0.12  -0.02    -0.06  -0.07  -0.02
    20   1    -0.09  -0.12  -0.03    -0.02   0.09   0.06    -0.06  -0.07  -0.02
    21   1     0.04   0.16   0.08    -0.04   0.14  -0.34     0.03   0.10   0.04
    22   1     0.03  -0.04   0.11    -0.12   0.06   0.56     0.02  -0.02   0.05
    23   1     0.04  -0.11  -0.30    -0.14  -0.11  -0.09     0.02  -0.05  -0.14
    24   1     0.00  -0.06   0.03    -0.07  -0.14  -0.10     0.00  -0.02   0.03
    25   1    -0.02  -0.05  -0.07     0.06   0.18  -0.00    -0.01   0.00  -0.04
    26   1     0.07  -0.31   0.14     0.13   0.11  -0.01     0.05  -0.13   0.06
    27   1    -0.02   0.10  -0.16     0.22  -0.40   0.32    -0.00   0.03  -0.06
    28   1     0.01   0.02   0.00     0.01   0.01   0.00    -0.04  -0.05  -0.02
    29   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.01   0.02   0.01
    30   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    31   1    -0.01  -0.01  -0.01    -0.00  -0.00  -0.01     0.02   0.01   0.02
    32   1     0.00  -0.00  -0.00     0.00  -0.00  -0.01     0.02   0.03   0.04
    33   1     0.01   0.00   0.00     0.01   0.01   0.00    -0.01  -0.01  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1014.7583              1046.8568              1083.8084
 Red. masses --      1.9263                 2.8537                 2.1334
 Frc consts  --      1.1687                 1.8426                 1.4765
 IR Inten    --      2.3007                 4.2446                52.2738
 RamAct Fr= 1--      9.2815                 0.1153                 2.3331
  Dep-P Fr= 1--      0.2346                 0.5750                 0.7040
  Dep-U Fr= 1--      0.3801                 0.7302                 0.8263
 Alpha2 Fr= 1--      0.1148                 0.0004                 0.0019
 Beta2  Fr= 1--      0.5879                 0.0140                 0.3213
 AlphaG Fr= 1--      0.0311                -0.0013                 0.0036
 Gamma2 Fr= 1--     -0.4274                 0.0182                 1.2816
 Delta2 Fr= 1--     -1.4907                 0.1449                 1.7475
 Raman1 Fr= 1--      37.126                  0.461                  9.333
 ROA1   Fr= 1--     -88.736                  6.380                178.950
 CID1   Fr= 1--      -2.390                 13.838                 19.175
 Raman2 Fr= 1--       7.055                  0.168                  3.856
 ROA2   Fr= 1--       1.667                 -0.724                 16.778
 CID2   Fr= 1--       0.236                 -4.299                  4.351
 Raman3 Fr= 1--      14.111                  0.337                  7.712
 ROA3   Fr= 1--     -88.736                  6.380                178.950
 CID3   Fr= 1--      -6.289                 18.951                 23.206
 RC180  Fr= 1--      -0.240                  0.460                  0.653
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03   0.06    -0.00  -0.07   0.19     0.01   0.01  -0.03
     2   6    -0.00   0.00  -0.02     0.03  -0.01  -0.00    -0.00  -0.02   0.04
     3   6     0.00   0.01   0.05    -0.05   0.08  -0.19    -0.01   0.01   0.00
     4   6     0.06  -0.02  -0.04     0.04  -0.00   0.00     0.05  -0.03   0.02
     5   6     0.00   0.00   0.02    -0.01  -0.07   0.18     0.02   0.02  -0.05
     6   6    -0.03   0.02  -0.03    -0.06   0.08  -0.19    -0.05   0.02  -0.03
     7   6     0.01  -0.00   0.01    -0.01  -0.00  -0.00     0.01  -0.01   0.02
     8   6     0.00  -0.01   0.01    -0.00   0.01  -0.00    -0.00   0.03  -0.07
     9   6     0.00  -0.00  -0.01     0.00   0.00  -0.00    -0.02  -0.01   0.04
    10   6    -0.00   0.00  -0.01     0.01   0.00   0.01     0.02  -0.02   0.03
    11   6     0.10   0.15  -0.02    -0.01  -0.02   0.02     0.09   0.03   0.17
    12   6    -0.07  -0.02   0.04     0.00  -0.00  -0.01    -0.01   0.08   0.04
    13   8     0.03  -0.01   0.02    -0.00   0.00  -0.01    -0.00   0.01   0.00
    14   8     0.01  -0.02  -0.02    -0.00   0.00   0.00    -0.01  -0.05  -0.09
    15   1    -0.11   0.06   0.06     0.32  -0.14   0.31     0.06   0.01  -0.01
    16   1    -0.04  -0.15   0.01     0.20   0.10  -0.37    -0.18  -0.04   0.11
    17   1    -0.02  -0.06  -0.01     0.30  -0.15   0.29     0.09  -0.02  -0.04
    18   1    -0.00   0.03  -0.05     0.20   0.12  -0.37    -0.18  -0.01   0.05
    19   1     0.03   0.03   0.00    -0.05  -0.02  -0.00    -0.25  -0.06  -0.02
    20   1    -0.03  -0.03  -0.01    -0.02  -0.00   0.00     0.25   0.07  -0.03
    21   1     0.01   0.00   0.02    -0.01  -0.02  -0.01     0.00   0.07  -0.09
    22   1     0.00  -0.00  -0.01    -0.00   0.00   0.02     0.01   0.00  -0.09
    23   1     0.00  -0.01  -0.02    -0.00  -0.01  -0.01     0.03   0.05   0.11
    24   1     0.00  -0.00  -0.00    -0.00  -0.01  -0.00     0.01   0.07   0.09
    25   1     0.00   0.02  -0.00    -0.00  -0.02  -0.00     0.00  -0.08   0.01
    26   1    -0.00   0.03  -0.01    -0.00  -0.03   0.01     0.00  -0.10   0.04
    27   1     0.00  -0.01   0.01    -0.01   0.02  -0.02    -0.01   0.03  -0.04
    28   1     0.46   0.44   0.11    -0.10  -0.07  -0.01     0.05  -0.30   0.09
    29   6    -0.12  -0.08  -0.02     0.00   0.02  -0.01    -0.06   0.02  -0.12
    30   1    -0.01  -0.04  -0.06     0.00   0.00   0.01     0.08   0.06   0.26
    31   1    -0.21  -0.26  -0.44     0.01  -0.03   0.04    -0.04  -0.25   0.06
    32   1     0.06  -0.06  -0.23     0.03   0.04   0.07     0.13   0.13   0.27
    33   1     0.22   0.16   0.08    -0.03  -0.06  -0.03    -0.18  -0.41  -0.23
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1094.9762              1103.6130              1110.5701
 Red. masses --      1.5980                 2.0149                 1.4884
 Frc consts  --      1.1288                 1.4459                 1.0816
 IR Inten    --      7.7307                38.3290                 2.1508
 RamAct Fr= 1--      2.8197                 8.5905                 2.6509
  Dep-P Fr= 1--      0.6731                 0.1689                 0.3691
  Dep-U Fr= 1--      0.8046                 0.2889                 0.5392
 Alpha2 Fr= 1--      0.0038                 0.1266                 0.0219
 Beta2  Fr= 1--      0.3781                 0.4137                 0.2382
 AlphaG Fr= 1--     -0.0108                 0.0485                -0.0027
 Gamma2 Fr= 1--     -0.2193                -2.0117                 1.0064
 Delta2 Fr= 1--     -0.0284                -0.8465                 0.7405
 Raman1 Fr= 1--      11.279                 34.362                 10.604
 ROA1   Fr= 1--     -21.960               -220.213                120.310
 CID1   Fr= 1--      -1.947                 -6.409                 11.346
 Raman2 Fr= 1--       4.537                  4.964                  2.859
 ROA2   Fr= 1--      -5.036                -41.509                 18.230
 CID2   Fr= 1--      -1.110                 -8.362                  6.377
 Raman3 Fr= 1--       9.075                  9.928                  5.717
 ROA3   Fr= 1--     -21.960               -220.213                120.310
 CID3   Fr= 1--      -2.420                -22.180                 21.043
 RC180  Fr= 1--       0.609                 -0.422                  0.078
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.05     0.02  -0.01   0.01     0.01   0.01   0.01
     2   6     0.02  -0.01   0.04     0.02   0.02  -0.03    -0.07  -0.04  -0.01
     3   6    -0.03   0.02  -0.03     0.01   0.02  -0.02     0.02  -0.00   0.01
     4   6    -0.04  -0.04   0.03    -0.05  -0.04  -0.01    -0.01  -0.01   0.00
     5   6     0.02   0.01  -0.01    -0.03   0.01   0.02     0.02   0.01  -0.02
     6   6     0.01   0.01  -0.03     0.02  -0.02   0.03    -0.00   0.01  -0.00
     7   6     0.00  -0.02   0.04    -0.01   0.01  -0.05    -0.02   0.03   0.01
     8   6    -0.03   0.03  -0.10    -0.02  -0.04   0.09     0.13   0.02   0.00
     9   6    -0.02  -0.01   0.05     0.04   0.03  -0.04    -0.07  -0.03  -0.00
    10   6     0.05  -0.01   0.04    -0.02   0.02  -0.03    -0.07  -0.03  -0.01
    11   6    -0.02   0.09  -0.03     0.02   0.12   0.11    -0.01   0.03   0.01
    12   6    -0.02  -0.02   0.01    -0.01   0.06   0.05    -0.00   0.00   0.01
    13   8     0.02  -0.02   0.02     0.02  -0.02   0.03     0.00  -0.01   0.01
    14   8     0.01   0.00   0.01    -0.01  -0.04  -0.07    -0.00  -0.01  -0.01
    15   1     0.08   0.02  -0.03     0.06  -0.01   0.02     0.08  -0.08   0.03
    16   1    -0.11  -0.03   0.00     0.10  -0.02  -0.11     0.07  -0.01  -0.03
    17   1     0.16  -0.07   0.03    -0.10  -0.03  -0.02     0.06  -0.02  -0.01
    18   1    -0.02  -0.00  -0.01     0.02   0.00   0.05     0.04  -0.04  -0.06
    19   1    -0.33  -0.03  -0.02     0.37   0.04   0.02    -0.18  -0.10   0.00
    20   1     0.36   0.08  -0.06    -0.26  -0.03   0.07    -0.25  -0.09  -0.01
    21   1    -0.05  -0.01  -0.16    -0.05  -0.18   0.10     0.27   0.47   0.17
    22   1    -0.01   0.01  -0.06    -0.04   0.02   0.18     0.12  -0.08  -0.29
    23   1     0.01   0.06   0.13    -0.07  -0.08  -0.14     0.15   0.06   0.02
    24   1     0.01   0.06   0.08    -0.03  -0.12  -0.16     0.05   0.13   0.23
    25   1     0.00  -0.16   0.04    -0.01   0.05  -0.00     0.01   0.28  -0.09
    26   1    -0.02  -0.15   0.06    -0.03   0.10  -0.05     0.14   0.10  -0.02
    27   1    -0.05   0.09  -0.09    -0.02   0.01   0.03     0.18  -0.26   0.15
    28   1    -0.17   0.37   0.01    -0.14   0.13   0.08    -0.08   0.08   0.01
    29   6     0.06  -0.08  -0.00     0.05  -0.08  -0.09     0.02  -0.02  -0.01
    30   1    -0.04  -0.04  -0.12     0.03   0.02   0.13    -0.00  -0.01  -0.00
    31   1     0.10   0.30   0.11     0.13   0.26   0.26     0.04   0.10   0.07
    32   1    -0.28  -0.21  -0.23    -0.31  -0.20  -0.08    -0.10  -0.07  -0.04
    33   1    -0.12   0.15   0.02    -0.32  -0.11  -0.15    -0.08   0.01  -0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1146.2330              1161.7590              1203.1650
 Red. masses --      1.5544                 2.0634                 2.0141
 Frc consts  --      1.2032                 1.6409                 1.7178
 IR Inten    --     44.6007               147.7013                 2.7706
 RamAct Fr= 1--      0.8320                 1.1559                 8.4861
  Dep-P Fr= 1--      0.0401                 0.6874                 0.1898
  Dep-U Fr= 1--      0.0771                 0.8147                 0.3190
 Alpha2 Fr= 1--      0.0168                 0.0013                 0.1184
 Beta2  Fr= 1--      0.0107                 0.1570                 0.4512
 AlphaG Fr= 1--      0.0267                -0.0068                 0.0033
 Gamma2 Fr= 1--     -0.2062                -1.5049                 0.3249
 Delta2 Fr= 1--     -0.2165                -0.8340                -0.1651
 Raman1 Fr= 1--       3.328                  4.624                 33.944
 ROA1   Fr= 1--     -26.725               -171.158                 25.912
 CID1   Fr= 1--      -8.030                -37.018                  0.763
 Raman2 Fr= 1--       0.128                  1.884                  5.414
 ROA2   Fr= 1--      -3.217                -29.445                  9.120
 CID2   Fr= 1--     -25.071                -15.633                  1.685
 Raman3 Fr= 1--       0.257                  3.767                 10.828
 ROA3   Fr= 1--     -26.725               -171.158                 25.912
 CID3   Fr= 1--    -104.147                -45.435                  2.393
 RC180  Fr= 1--      -0.846                  0.629                 -0.362
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.00   0.02    -0.05   0.00   0.02    -0.02  -0.01   0.01
     2   6    -0.00   0.01  -0.02    -0.00   0.00  -0.01    -0.07   0.03   0.02
     3   6     0.06  -0.01   0.01     0.05  -0.00  -0.00     0.03  -0.01   0.01
     4   6    -0.05   0.02  -0.03     0.05  -0.02  -0.01     0.03  -0.00  -0.00
     5   6    -0.06  -0.01   0.04    -0.04   0.01  -0.01     0.02   0.00  -0.02
     6   6     0.08  -0.01   0.01     0.03  -0.00  -0.01    -0.02   0.00  -0.01
     7   6     0.00  -0.02   0.05     0.00  -0.01   0.01    -0.00  -0.07  -0.02
     8   6    -0.00   0.02  -0.05    -0.00   0.01  -0.01    -0.08   0.17   0.08
     9   6    -0.02  -0.01   0.02    -0.00  -0.00   0.01     0.07  -0.10  -0.02
    10   6     0.02  -0.01   0.02     0.01  -0.00   0.00     0.07  -0.08  -0.07
    11   6    -0.01  -0.01  -0.01     0.03   0.03   0.12    -0.02   0.00  -0.00
    12   6     0.02   0.08   0.04    -0.02  -0.14  -0.09     0.00   0.01   0.00
    13   8     0.01  -0.01   0.02    -0.02   0.03  -0.05     0.00  -0.00   0.00
    14   8    -0.02  -0.03  -0.07     0.03   0.04   0.12    -0.00  -0.00  -0.01
    15   1    -0.39   0.09  -0.10    -0.30   0.06  -0.07     0.05  -0.01   0.05
    16   1     0.35   0.04  -0.20     0.24   0.01  -0.14     0.05  -0.00   0.00
    17   1    -0.34   0.07  -0.05    -0.36   0.07  -0.13     0.02   0.01  -0.03
    18   1     0.46   0.03  -0.26     0.18   0.02  -0.11     0.05   0.03  -0.05
    19   1    -0.15   0.04   0.00    -0.03   0.02   0.00     0.08   0.03  -0.02
    20   1     0.12  -0.03  -0.06     0.04  -0.01  -0.02     0.08   0.01   0.02
    21   1    -0.00   0.05  -0.10    -0.01   0.01  -0.03    -0.03   0.35   0.13
    22   1     0.01  -0.01  -0.05    -0.00   0.00  -0.01    -0.14   0.12  -0.20
    23   1     0.02   0.03   0.06     0.00   0.01   0.02    -0.10   0.11   0.34
    24   1     0.01   0.05   0.07     0.00   0.01   0.01     0.02   0.09  -0.39
    25   1     0.00  -0.06   0.01     0.00  -0.02   0.01     0.10  -0.19   0.34
    26   1    -0.00  -0.07   0.03    -0.00  -0.02   0.01    -0.16   0.29  -0.15
    27   1    -0.01   0.03  -0.03    -0.01   0.01  -0.00    -0.08  -0.05   0.25
    28   1     0.14  -0.18  -0.02    -0.20   0.25   0.13    -0.06   0.00  -0.01
    29   6     0.01  -0.01   0.02    -0.01   0.02  -0.09     0.01  -0.00   0.01
    30   1     0.05   0.07   0.24    -0.10  -0.13  -0.45     0.00   0.01   0.02
    31   1     0.01   0.04  -0.00     0.02  -0.07   0.14     0.01   0.02   0.00
    32   1    -0.03  -0.04  -0.04     0.02   0.07   0.18    -0.02  -0.01  -0.01
    33   1     0.02   0.05   0.03    -0.17  -0.25  -0.17    -0.01   0.02   0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1213.3323              1223.5745              1236.6323
 Red. masses --      1.3015                 2.0250                 2.4786
 Frc consts  --      1.1289                 1.7862                 2.2332
 IR Inten    --      3.8660                 5.7782                 6.1439
 RamAct Fr= 1--     46.6431                35.4780                30.2730
  Dep-P Fr= 1--      0.1057                 0.1674                 0.1634
  Dep-U Fr= 1--      0.1912                 0.2868                 0.2809
 Alpha2 Fr= 1--      0.8053                 0.5246                 0.4523
 Beta2  Fr= 1--      1.4864                 1.6960                 1.4172
 AlphaG Fr= 1--     -0.2791                -0.0544                -0.1323
 Gamma2 Fr= 1--     -3.5830                -1.0140                 0.2295
 Delta2 Fr= 1--      0.8122                -0.4719                 0.2871
 Raman1 Fr= 1--     186.572                141.912                121.092
 ROA1   Fr= 1--    -317.975               -112.448                 31.222
 CID1   Fr= 1--      -1.704                 -0.792                  0.258
 Raman2 Fr= 1--      17.836                 20.351                 17.007
 ROA2   Fr= 1--     -92.489                -20.561                  3.212
 CID2   Fr= 1--      -5.185                 -1.010                  0.189
 Raman3 Fr= 1--      35.673                 40.703                 34.013
 ROA3   Fr= 1--    -317.975               -112.448                 31.222
 CID3   Fr= 1--      -8.914                 -2.763                  0.918
 RC180  Fr= 1--      -0.618                 -0.426                 -0.438
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.04    -0.10   0.00   0.04     0.03  -0.00  -0.01
     2   6     0.04  -0.00  -0.01    -0.04   0.00   0.02     0.28  -0.04  -0.03
     3   6     0.01   0.01  -0.03     0.08  -0.00  -0.03    -0.07   0.03  -0.05
     4   6    -0.11   0.01   0.00     0.21  -0.03  -0.01     0.06  -0.01   0.01
     5   6     0.02  -0.02   0.04     0.06  -0.00  -0.02    -0.07  -0.01   0.05
     6   6    -0.00  -0.02   0.05    -0.08   0.02  -0.02     0.04   0.00  -0.03
     7   6    -0.02  -0.00   0.00     0.03   0.01  -0.01    -0.12   0.01   0.01
     8   6     0.00   0.02   0.01     0.00  -0.03  -0.01     0.02   0.08   0.05
     9   6     0.00  -0.01  -0.00    -0.00   0.02   0.00     0.01  -0.03  -0.01
    10   6     0.00  -0.01  -0.01    -0.01   0.01   0.01    -0.01  -0.03  -0.02
    11   6     0.05   0.00   0.00    -0.09  -0.00  -0.01     0.01  -0.01  -0.01
    12   6    -0.00  -0.01  -0.01    -0.00   0.02   0.02    -0.01   0.00   0.01
    13   8    -0.00   0.01  -0.01     0.01  -0.01   0.02     0.00  -0.00   0.01
    14   8     0.00   0.00   0.01    -0.01  -0.00  -0.03    -0.00   0.00  -0.01
    15   1    -0.34   0.10  -0.17    -0.51   0.10  -0.11    -0.29   0.09  -0.13
    16   1     0.38   0.06  -0.30     0.24   0.02  -0.13    -0.31  -0.00   0.11
    17   1     0.52  -0.15   0.23     0.07   0.00  -0.03    -0.38   0.07  -0.06
    18   1    -0.29  -0.06   0.26    -0.42  -0.03   0.22    -0.24  -0.04   0.20
    19   1    -0.04   0.01  -0.00     0.04   0.00  -0.00    -0.42  -0.14  -0.02
    20   1    -0.05  -0.01   0.01     0.07   0.03   0.01    -0.28  -0.04   0.04
    21   1     0.00   0.03   0.00     0.00  -0.04   0.01    -0.00  -0.03   0.08
    22   1    -0.01   0.01  -0.04     0.01  -0.01   0.04    -0.01   0.02  -0.11
    23   1     0.00   0.01   0.03    -0.00  -0.02  -0.05     0.01   0.02   0.06
    24   1     0.00   0.02  -0.02    -0.01  -0.03   0.03     0.01   0.04  -0.08
    25   1     0.01  -0.01   0.03    -0.01   0.02  -0.04     0.02   0.05   0.07
    26   1    -0.00   0.03  -0.01     0.01  -0.03   0.02     0.01   0.09  -0.04
    27   1     0.00  -0.02   0.03     0.01   0.01  -0.03     0.02  -0.09   0.11
    28   1     0.24  -0.03   0.03    -0.48   0.05  -0.07    -0.18   0.03  -0.03
    29   6    -0.01   0.00  -0.02     0.02  -0.01   0.04    -0.00   0.00   0.01
    30   1    -0.01  -0.02  -0.07     0.03   0.05   0.17     0.02   0.03   0.09
    31   1    -0.00  -0.03   0.02     0.01   0.05  -0.02    -0.02  -0.02  -0.04
    32   1     0.03   0.03   0.04    -0.07  -0.05  -0.06     0.01  -0.00  -0.03
    33   1     0.01  -0.04  -0.02    -0.01   0.09   0.05     0.02   0.01   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1244.6636              1280.6688              1309.6786
 Red. masses --      1.3864                 1.7431                 1.5941
 Frc consts  --      1.2654                 1.6844                 1.6110
 IR Inten    --      0.5742                 2.8847                 4.7985
 RamAct Fr= 1--      5.1743                 4.1145                 7.2843
  Dep-P Fr= 1--      0.7273                 0.5809                 0.4361
  Dep-U Fr= 1--      0.8421                 0.7349                 0.6074
 Alpha2 Fr= 1--      0.0020                 0.0130                 0.0472
 Beta2  Fr= 1--      0.7262                 0.5039                 0.7374
 AlphaG Fr= 1--     -0.0253                 0.0051                -0.0548
 Gamma2 Fr= 1--      1.1786                 0.3831                -2.3382
 Delta2 Fr= 1--      0.6323                -0.4675                 1.6189
 Raman1 Fr= 1--      20.697                 16.458                 29.137
 ROA1   Fr= 1--     133.383                 21.819               -172.663
 CID1   Fr= 1--       6.444                  1.326                 -5.926
 Raman2 Fr= 1--       8.715                  6.047                  8.848
 ROA2   Fr= 1--      23.228                 12.934                -69.067
 CID2   Fr= 1--       2.665                  2.139                 -7.806
 Raman3 Fr= 1--      17.429                 12.095                 17.697
 ROA3   Fr= 1--     133.383                 21.819               -172.663
 CID3   Fr= 1--       7.653                  1.804                 -9.757
 RC180  Fr= 1--       0.684                  0.470                  0.215
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.02  -0.04     0.02  -0.01   0.03     0.03  -0.01   0.02
     2   6    -0.02  -0.02   0.08     0.01   0.00  -0.02    -0.00   0.00  -0.03
     3   6     0.02   0.00  -0.02    -0.01  -0.01   0.03    -0.02  -0.01   0.03
     4   6    -0.02  -0.01   0.04     0.07   0.03  -0.12     0.01   0.03  -0.08
     5   6    -0.02   0.01  -0.02     0.03  -0.02   0.04     0.02  -0.01   0.02
     6   6     0.02   0.01  -0.03    -0.04   0.00   0.01    -0.03  -0.00   0.02
     7   6     0.00   0.02  -0.04    -0.00   0.00   0.00     0.02   0.01   0.01
     8   6     0.01  -0.04   0.09    -0.00  -0.00   0.01    -0.02  -0.02  -0.00
     9   6     0.05   0.02  -0.03     0.01   0.00  -0.00     0.01   0.00  -0.00
    10   6    -0.05   0.01  -0.02    -0.01   0.00  -0.00     0.00   0.01   0.00
    11   6     0.03  -0.00  -0.01    -0.14   0.06   0.04    -0.07  -0.06   0.00
    12   6    -0.01  -0.00   0.00     0.05   0.05   0.02     0.00  -0.10  -0.06
    13   8     0.00  -0.00   0.00    -0.02   0.01  -0.04     0.02   0.00   0.05
    14   8     0.00   0.00  -0.00     0.01  -0.03   0.03    -0.02   0.05  -0.03
    15   1    -0.07   0.02  -0.05    -0.22   0.05  -0.05    -0.13   0.02  -0.04
    16   1     0.03   0.01  -0.02    -0.23  -0.04   0.19    -0.12  -0.02   0.10
    17   1     0.07  -0.01   0.01     0.10  -0.04   0.06     0.11  -0.03   0.06
    18   1     0.16   0.03  -0.13     0.04   0.01  -0.05     0.08   0.00  -0.06
    19   1    -0.38  -0.31  -0.05    -0.16  -0.07  -0.01    -0.15  -0.07  -0.01
    20   1     0.46   0.31   0.08     0.10   0.05   0.01    -0.01  -0.02  -0.02
    21   1     0.05  -0.17   0.44     0.01  -0.04   0.11     0.02   0.06   0.09
    22   1    -0.02   0.02   0.11    -0.01   0.01   0.02    -0.01   0.01   0.03
    23   1    -0.06  -0.05  -0.08    -0.01  -0.01  -0.00    -0.03  -0.01  -0.00
    24   1    -0.02  -0.11  -0.16    -0.00  -0.02  -0.03    -0.00  -0.02  -0.04
    25   1    -0.01   0.18  -0.06    -0.00   0.03  -0.01    -0.00  -0.02  -0.00
    26   1     0.04   0.08  -0.03     0.01   0.01  -0.00    -0.02  -0.02   0.00
    27   1     0.03  -0.07   0.05     0.01  -0.02   0.01    -0.01   0.01  -0.00
    28   1    -0.00   0.02  -0.01     0.51  -0.39   0.05     0.31   0.49   0.20
    29   6    -0.01   0.00   0.00     0.05  -0.02  -0.01     0.03   0.03  -0.05
    30   1     0.01   0.01   0.02    -0.10  -0.16  -0.43     0.10   0.21   0.57
    31   1    -0.02  -0.02  -0.02     0.06   0.11   0.06     0.07   0.02   0.15
    32   1     0.03   0.01  -0.01    -0.14  -0.07   0.01    -0.02   0.05   0.15
    33   1     0.03   0.00   0.01    -0.15   0.02  -0.03    -0.09  -0.09  -0.09
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1309.8917              1349.7126              1366.3219
 Red. masses --      1.5336                 2.2388                 1.4489
 Frc consts  --      1.5504                 2.4029                 1.5937
 IR Inten    --      8.2508                 0.1937                 0.1345
 RamAct Fr= 1--     29.6924                 1.9913                 1.2913
  Dep-P Fr= 1--      0.2804                 0.6724                 0.5852
  Dep-U Fr= 1--      0.4380                 0.8041                 0.7384
 Alpha2 Fr= 1--      0.3226                 0.0027                 0.0040
 Beta2  Fr= 1--      2.1676                 0.2669                 0.1589
 AlphaG Fr= 1--     -0.1599                 0.0215                 0.0046
 Gamma2 Fr= 1--     -0.7530                 4.8458                 0.3209
 Delta2 Fr= 1--     -0.8721                 2.7808                 0.2283
 Raman1 Fr= 1--     118.770                  7.965                  5.165
 ROA1   Fr= 1--    -100.196                554.181                 38.110
 CID1   Fr= 1--      -0.844                 69.576                  7.378
 Raman2 Fr= 1--      26.011                  3.202                  1.907
 ROA2   Fr= 1--     -11.096                 94.052                  5.875
 CID2   Fr= 1--      -0.427                 29.370                  3.081
 Raman3 Fr= 1--      52.022                  6.405                  3.814
 ROA3   Fr= 1--    -100.196                554.181                 38.110
 CID3   Fr= 1--      -1.926                 86.529                  9.993
 RC180  Fr= 1--      -0.124                  0.608                  0.477
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.01    -0.09   0.02  -0.03    -0.08   0.02  -0.02
     2   6    -0.01  -0.03  -0.01     0.02  -0.07   0.17    -0.00   0.01  -0.02
     3   6     0.00   0.00  -0.00     0.11   0.01  -0.08     0.02  -0.00  -0.01
     4   6    -0.01  -0.01   0.02     0.03  -0.03   0.07     0.03  -0.04   0.10
     5   6    -0.00   0.00  -0.00    -0.12   0.03  -0.05    -0.01  -0.00   0.00
     6   6     0.01   0.01  -0.00     0.07   0.01  -0.06     0.07   0.01  -0.05
     7   6     0.10   0.08   0.02    -0.00   0.01  -0.04     0.00  -0.01   0.02
     8   6    -0.10  -0.09  -0.02     0.01  -0.03   0.07    -0.01   0.02  -0.05
     9   6     0.05   0.03   0.00    -0.03   0.01  -0.00     0.02  -0.01   0.01
    10   6     0.06   0.03   0.00     0.03  -0.00  -0.02    -0.01   0.00   0.01
    11   6     0.02   0.01  -0.00    -0.06  -0.02  -0.01    -0.08  -0.02  -0.02
    12   6    -0.00   0.02   0.01     0.01   0.00   0.00     0.01   0.02   0.01
    13   8    -0.00  -0.00  -0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    14   8     0.00  -0.01   0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   1     0.02  -0.03  -0.01    -0.15   0.03  -0.05     0.37  -0.10   0.15
    16   1     0.03   0.00  -0.03    -0.30  -0.04   0.22     0.23   0.03  -0.15
    17   1    -0.02   0.00  -0.01     0.30  -0.08   0.11    -0.29   0.08  -0.09
    18   1    -0.03  -0.03   0.01     0.11   0.02  -0.09    -0.36  -0.05   0.26
    19   1    -0.40  -0.26  -0.01     0.25   0.02   0.01    -0.02   0.04   0.00
    20   1    -0.43  -0.24  -0.09    -0.24  -0.04   0.05     0.01  -0.03  -0.02
    21   1     0.07   0.51   0.17    -0.06   0.19  -0.49     0.03  -0.10   0.25
    22   1    -0.05   0.06   0.12     0.06  -0.05  -0.05    -0.04   0.03   0.01
    23   1    -0.14  -0.06  -0.03     0.05  -0.02  -0.08    -0.03   0.01   0.05
    24   1    -0.02  -0.12  -0.13    -0.02  -0.01   0.06     0.01   0.01  -0.02
    25   1    -0.01  -0.18   0.02     0.03  -0.03   0.05    -0.02   0.01  -0.02
    26   1    -0.14  -0.08   0.00    -0.06   0.06  -0.04     0.04  -0.04   0.02
    27   1    -0.07   0.12  -0.04    -0.07   0.06   0.01     0.04  -0.03  -0.02
    28   1    -0.05  -0.07  -0.03     0.35   0.09   0.09     0.52   0.12   0.12
    29   6    -0.01  -0.00   0.01     0.02   0.01  -0.01     0.02   0.01  -0.02
    30   1    -0.02  -0.03  -0.09    -0.00   0.00   0.02    -0.01  -0.01  -0.02
    31   1    -0.01  -0.01  -0.03     0.02   0.01   0.02     0.04   0.02   0.07
    32   1     0.01  -0.01  -0.02    -0.03   0.01   0.04    -0.03   0.02   0.09
    33   1     0.02   0.01   0.02    -0.07  -0.02  -0.03    -0.06  -0.00  -0.04
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1375.3912              1388.1135              1392.4912
 Red. masses --      1.3962                 1.3599                 1.9815
 Frc consts  --      1.5562                 1.5439                 2.2638
 IR Inten    --      0.5239                10.5525                39.1550
 RamAct Fr= 1--      1.9140                 9.8060                 5.8055
  Dep-P Fr= 1--      0.7273                 0.3536                 0.7202
  Dep-U Fr= 1--      0.8421                 0.5225                 0.8373
 Alpha2 Fr= 1--      0.0007                 0.0851                 0.0030
 Beta2  Fr= 1--      0.2686                 0.8539                 0.8102
 AlphaG Fr= 1--      0.0111                -0.0188                -0.0158
 Gamma2 Fr= 1--      0.2326                -1.0794                 2.1071
 Delta2 Fr= 1--     -0.1469                -0.3087                -1.0761
 Raman1 Fr= 1--       7.656                 39.224                 23.222
 ROA1   Fr= 1--      17.632               -113.497                167.844
 CID1   Fr= 1--       2.303                 -2.894                  7.228
 Raman2 Fr= 1--       3.224                 10.247                  9.722
 ROA2   Fr= 1--       6.759                -23.435                 59.178
 CID2   Fr= 1--       2.097                 -2.287                  6.087
 Raman3 Fr= 1--       6.447                 20.494                 19.444
 ROA3   Fr= 1--      17.632               -113.497                167.844
 CID3   Fr= 1--       2.735                 -5.538                  8.632
 RC180  Fr= 1--       0.684                  0.045                  0.675
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.00     0.02  -0.01   0.01     0.03  -0.01   0.01
     2   6     0.01  -0.02   0.05     0.04   0.01  -0.00    -0.01  -0.00   0.00
     3   6     0.04   0.00  -0.03    -0.01   0.00  -0.01    -0.01   0.00  -0.00
     4   6    -0.00   0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.02  -0.01
     5   6    -0.05   0.01  -0.02    -0.01  -0.00   0.01     0.02  -0.00  -0.01
     6   6     0.01  -0.00   0.00     0.01   0.00  -0.01    -0.04  -0.00   0.02
     7   6     0.00  -0.00   0.01    -0.12  -0.03   0.00     0.02   0.01  -0.00
     8   6    -0.02   0.05  -0.14    -0.00  -0.10  -0.04     0.00   0.02   0.01
     9   6     0.04  -0.03  -0.00     0.02   0.01  -0.02    -0.00  -0.00   0.00
    10   6    -0.03   0.02   0.03     0.03  -0.01   0.02    -0.01   0.00  -0.01
    11   6     0.01   0.00   0.01     0.00  -0.02  -0.00     0.02  -0.17  -0.03
    12   6    -0.00  -0.00  -0.00    -0.00   0.02   0.01    -0.03   0.18   0.11
    13   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.02  -0.03
    14   8     0.00   0.00   0.00     0.00  -0.01  -0.00     0.01  -0.06  -0.01
    15   1    -0.14   0.04  -0.04    -0.06   0.02  -0.02    -0.11   0.03  -0.04
    16   1    -0.19  -0.02   0.14    -0.05   0.00   0.02    -0.01   0.01   0.00
    17   1     0.22  -0.06   0.08    -0.05   0.01  -0.00     0.02   0.02   0.00
    18   1     0.14   0.01  -0.09    -0.04   0.00   0.03     0.09   0.01  -0.08
    19   1     0.25   0.16   0.02     0.28   0.31   0.02    -0.03  -0.05  -0.00
    20   1    -0.25  -0.15  -0.03     0.30   0.27   0.13    -0.06  -0.04  -0.02
    21   1     0.08  -0.23   0.62     0.21   0.63   0.21    -0.03  -0.10  -0.04
    22   1    -0.13   0.07   0.12    -0.02  -0.02   0.16     0.00  -0.00  -0.02
    23   1    -0.07   0.07   0.18    -0.08   0.05   0.09     0.01  -0.00  -0.01
    24   1     0.06   0.07   0.02     0.03  -0.07   0.09    -0.00   0.01  -0.01
    25   1    -0.06  -0.07  -0.02     0.00   0.01  -0.11    -0.00  -0.02   0.03
    26   1     0.10  -0.17   0.07    -0.09   0.09  -0.02     0.02  -0.03   0.01
    27   1     0.15  -0.12   0.01    -0.05   0.09  -0.12     0.02  -0.03   0.04
    28   1    -0.09  -0.02  -0.02    -0.00   0.08   0.02    -0.06   0.73   0.18
    29   6    -0.00   0.00   0.01     0.00   0.01  -0.00     0.01   0.06  -0.02
    30   1     0.00   0.00   0.00    -0.01  -0.02  -0.05    -0.08  -0.16  -0.40
    31   1    -0.01  -0.01  -0.03     0.00  -0.02   0.01     0.03  -0.17   0.10
    32   1     0.00  -0.01  -0.03    -0.00   0.00  -0.00    -0.06   0.03   0.01
    33   1    -0.00  -0.01   0.00     0.00  -0.03  -0.01     0.02  -0.20  -0.08
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1405.4429              1416.1171              1425.0873
 Red. masses --      1.2778                 1.2210                 1.2483
 Frc consts  --      1.4871                 1.4426                 1.4937
 IR Inten    --      8.5200                10.7377                 8.3353
 RamAct Fr= 1--      1.0413                 1.0604                 0.9051
  Dep-P Fr= 1--      0.2963                 0.5045                 0.6705
  Dep-U Fr= 1--      0.4571                 0.6707                 0.8027
 Alpha2 Fr= 1--      0.0108                 0.0051                 0.0013
 Beta2  Fr= 1--      0.0793                 0.1185                 0.1211
 AlphaG Fr= 1--     -0.0145                 0.0004                 0.0021
 Gamma2 Fr= 1--     -0.0528                -0.1779                 0.4396
 Delta2 Fr= 1--      0.1834                 0.0986                 0.1158
 Raman1 Fr= 1--       4.165                  4.242                  3.621
 ROA1   Fr= 1--       0.798                -13.926                 45.911
 CID1   Fr= 1--       0.192                 -3.283                 12.681
 Raman2 Fr= 1--       0.952                  1.422                  1.453
 ROA2   Fr= 1--      -2.735                 -5.060                  9.625
 CID2   Fr= 1--      -2.872                 -3.557                  6.624
 Raman3 Fr= 1--       1.904                  2.845                  2.906
 ROA3   Fr= 1--       0.798                -13.926                 45.911
 CID3   Fr= 1--       0.419                 -4.895                 15.797
 RC180  Fr= 1--      -0.086                  0.341                  0.605
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.01  -0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.01    -0.01  -0.00  -0.00
     3   6    -0.01   0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.01     0.01  -0.00   0.00     0.00  -0.00   0.00
     5   6     0.01  -0.00   0.00     0.01  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.01    -0.00   0.00  -0.00     0.04   0.01  -0.00
     8   6     0.01  -0.02   0.05    -0.00   0.00  -0.00    -0.00   0.03   0.01
     9   6    -0.00  -0.01  -0.10     0.00  -0.00   0.00     0.00  -0.03  -0.09
    10   6    -0.02   0.08  -0.07     0.00  -0.00   0.00     0.02  -0.08   0.05
    11   6    -0.00   0.00  -0.00     0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.02   0.02    -0.00   0.00   0.00
    13   8     0.00   0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    15   1     0.02  -0.00   0.00    -0.05   0.01  -0.02     0.01  -0.01   0.00
    16   1     0.03   0.01  -0.03    -0.04  -0.01   0.01     0.01   0.00  -0.00
    17   1    -0.04   0.01  -0.02    -0.01   0.00  -0.01     0.01  -0.00   0.00
    18   1    -0.02   0.00   0.01     0.02   0.01  -0.02     0.01  -0.00  -0.01
    19   1    -0.05  -0.05  -0.01     0.02   0.01   0.00    -0.12  -0.05  -0.02
    20   1     0.06   0.05   0.02    -0.02  -0.01   0.00    -0.12  -0.06   0.00
    21   1    -0.02   0.06  -0.15     0.00  -0.00   0.01    -0.05  -0.14  -0.04
    22   1    -0.09  -0.08   0.38    -0.00   0.00  -0.01    -0.16  -0.03   0.36
    23   1    -0.06   0.23   0.29     0.00  -0.01  -0.01    -0.06   0.22   0.30
    24   1     0.12   0.02   0.40    -0.00   0.00  -0.01     0.15   0.10   0.37
    25   1    -0.04  -0.28   0.30    -0.00   0.00  -0.01     0.08   0.33  -0.23
    26   1     0.10  -0.36   0.04    -0.00   0.01  -0.00    -0.10   0.36  -0.06
    27   1     0.17  -0.18   0.30    -0.00   0.00  -0.01    -0.23   0.20  -0.24
    28   1     0.03  -0.01   0.00    -0.02   0.05   0.01    -0.00   0.01   0.00
    29   6    -0.00  -0.00  -0.00    -0.06  -0.09  -0.08     0.00   0.00  -0.00
    30   1     0.00   0.00   0.01    -0.01  -0.02  -0.05    -0.00  -0.00  -0.00
    31   1     0.00   0.02   0.01     0.06   0.38   0.37     0.00  -0.00   0.00
    32   1     0.01   0.00   0.02     0.37   0.16   0.44    -0.00  -0.00   0.00
    33   1     0.01   0.02   0.00     0.31   0.47   0.12     0.00  -0.00  -0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1460.8896              1489.3062              1489.9087
 Red. masses --      2.4729                 1.0407                 1.0977
 Frc consts  --      3.1095                 1.3600                 1.4357
 IR Inten    --      9.1165                 2.6528                 3.3687
 RamAct Fr= 1--      0.3987                 7.5897                10.4585
  Dep-P Fr= 1--      0.5969                 0.7435                 0.7381
  Dep-U Fr= 1--      0.7476                 0.8529                 0.8493
 Alpha2 Fr= 1--      0.0011                 0.0008                 0.0021
 Beta2  Fr= 1--      0.0497                 1.0789                 1.4805
 AlphaG Fr= 1--      0.0174                -0.0103                -0.0014
 Gamma2 Fr= 1--     -0.3141                 0.1632                -0.3814
 Delta2 Fr= 1--     -0.5428                 0.1579                 0.2381
 Raman1 Fr= 1--       1.595                 30.359                 41.834
 ROA1   Fr= 1--     -47.518                 20.720                -28.993
 CID1   Fr= 1--     -29.793                  0.683                 -0.693
 Raman2 Fr= 1--       0.596                 12.946                 17.766
 ROA2   Fr= 1--      -3.195                  2.654                -11.057
 CID2   Fr= 1--      -5.360                  0.205                 -0.622
 Raman3 Fr= 1--       1.192                 25.893                 35.531
 ROA3   Fr= 1--     -47.518                 20.720                -28.993
 CID3   Fr= 1--     -39.854                  0.800                 -0.816
 RC180  Fr= 1--       0.495                  0.706                  0.699
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13   0.00  -0.05    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6     0.02  -0.05   0.14    -0.00   0.00  -0.00    -0.01  -0.01  -0.00
     3   6    -0.14   0.02  -0.01     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.02  -0.05   0.14     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.14  -0.00  -0.05    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.14   0.02  -0.01     0.00   0.00   0.00    -0.00   0.00   0.00
     7   6    -0.00   0.01  -0.04     0.00  -0.00   0.00     0.06  -0.05  -0.03
     8   6    -0.00   0.00  -0.01    -0.00   0.00  -0.01    -0.01   0.00   0.00
     9   6     0.00  -0.01   0.01    -0.04  -0.01   0.00    -0.01   0.01   0.00
    10   6     0.00   0.00   0.01     0.04   0.01  -0.00    -0.01   0.01   0.01
    11   6    -0.04   0.03  -0.03    -0.00  -0.00   0.00     0.00   0.00   0.00
    12   6     0.00  -0.02  -0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   8     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   8    -0.00   0.01   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    15   1    -0.29   0.12  -0.22     0.01   0.00   0.01     0.02  -0.00   0.01
    16   1     0.24   0.08  -0.30    -0.00  -0.00   0.00     0.00  -0.00   0.00
    17   1    -0.32   0.13  -0.23     0.00  -0.00   0.00     0.00  -0.00  -0.00
    18   1     0.22   0.08  -0.29    -0.01  -0.01   0.01     0.02   0.00  -0.01
    19   1     0.21   0.04   0.01    -0.00   0.00  -0.00    -0.34   0.50  -0.20
    20   1    -0.21  -0.05   0.03    -0.00   0.00  -0.00    -0.25   0.22   0.54
    21   1     0.00  -0.01   0.03     0.01  -0.03   0.06    -0.02  -0.04  -0.01
    22   1    -0.04   0.03   0.00     0.17  -0.23   0.25     0.16  -0.13   0.03
    23   1     0.03  -0.02  -0.03     0.46   0.19   0.04     0.09   0.08   0.06
    24   1     0.01   0.07  -0.02    -0.06   0.14  -0.28    -0.06  -0.11  -0.09
    25   1    -0.02  -0.04  -0.06    -0.01   0.09  -0.31    -0.05  -0.15   0.01
    26   1    -0.04   0.03  -0.00    -0.46  -0.20  -0.01     0.08   0.11  -0.01
    27   1     0.04  -0.02  -0.03    -0.10  -0.01   0.37     0.14  -0.07  -0.14
    28   1     0.35  -0.08   0.01     0.00   0.00   0.00    -0.00   0.00   0.00
    29   6     0.01   0.00   0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
    30   1     0.00   0.01   0.04     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.00  -0.01  -0.07    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    32   1    -0.03  -0.01   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    33   1    -0.09   0.01  -0.01    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1492.1871              1497.8501              1498.8889
 Red. masses --      1.0465                 1.0562                 1.0551
 Frc consts  --      1.3729                 1.3962                 1.3967
 IR Inten    --      4.7295                 0.2316                 8.4952
 RamAct Fr= 1--      5.2821                 2.4798                 4.3445
  Dep-P Fr= 1--      0.6107                 0.3323                 0.7053
  Dep-U Fr= 1--      0.7583                 0.4988                 0.8272
 Alpha2 Fr= 1--      0.0135                 0.0230                 0.0034
 Beta2  Fr= 1--      0.6676                 0.2062                 0.5989
 AlphaG Fr= 1--      0.0147                -0.0567                 0.0390
 Gamma2 Fr= 1--     -0.4888                -0.7568                 0.3650
 Delta2 Fr= 1--     -1.0571                 0.5605                 0.8983
 Raman1 Fr= 1--      21.128                  9.919                 17.378
 ROA1   Fr= 1--     -80.751                -54.716                 63.785
 CID1   Fr= 1--      -3.822                 -5.516                  3.670
 Raman2 Fr= 1--       8.011                  2.474                  7.187
 ROA2   Fr= 1--      -3.274                -22.647                  1.573
 CID2   Fr= 1--      -0.409                 -9.154                  0.219
 Raman3 Fr= 1--      16.022                  4.948                 14.375
 ROA3   Fr= 1--     -80.751                -54.716                 63.785
 CID3   Fr= 1--      -5.040                -11.058                  4.437
 RC180  Fr= 1--       0.517                 -0.002                  0.654
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.01   0.00   0.00    -0.00   0.00  -0.00
     2   6     0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.01
     3   6    -0.01  -0.00   0.01     0.01  -0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
     5   6    -0.01   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00     0.01  -0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   6    -0.00  -0.00  -0.00     0.00  -0.01   0.03    -0.00   0.00  -0.01
     9   6    -0.00   0.00  -0.00     0.00  -0.04   0.00    -0.00   0.01  -0.00
    10   6     0.00   0.00   0.00     0.00   0.03   0.03    -0.00  -0.00  -0.00
    11   6     0.02  -0.00  -0.01    -0.00   0.00   0.00    -0.01   0.03  -0.01
    12   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    13   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
    14   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   1     0.02  -0.00   0.00     0.02  -0.00   0.01    -0.01   0.00  -0.01
    16   1     0.01   0.00  -0.01    -0.00  -0.01   0.01    -0.01  -0.01  -0.00
    17   1     0.03  -0.01   0.01     0.00  -0.00   0.01    -0.01   0.00  -0.01
    18   1     0.02   0.00  -0.01    -0.02  -0.01   0.01    -0.00   0.00  -0.01
    19   1    -0.00   0.00   0.00    -0.04  -0.03  -0.00     0.01   0.01  -0.00
    20   1    -0.00   0.00   0.00     0.04   0.03   0.00    -0.02  -0.00   0.01
    21   1     0.00   0.00   0.00    -0.01   0.03  -0.07     0.00  -0.00   0.01
    22   1     0.01  -0.00   0.00    -0.34   0.21   0.09     0.06  -0.04  -0.01
    23   1     0.00   0.00   0.00     0.14  -0.12  -0.21    -0.02   0.02   0.03
    24   1    -0.00  -0.00  -0.00     0.13   0.46   0.00    -0.02  -0.07  -0.00
    25   1    -0.00  -0.00  -0.00    -0.16  -0.36  -0.28     0.03   0.06   0.05
    26   1    -0.00   0.00  -0.00    -0.17   0.22  -0.04     0.03  -0.04   0.01
    27   1     0.00  -0.00  -0.00     0.34  -0.19  -0.14    -0.05   0.03   0.02
    28   1    -0.06  -0.02  -0.04    -0.01  -0.01  -0.01     0.02  -0.09  -0.03
    29   6     0.04   0.00  -0.03    -0.00   0.01  -0.00    -0.02   0.03  -0.02
    30   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.01   0.02
    31   1    -0.02  -0.47  -0.10     0.01  -0.06   0.09     0.08  -0.33   0.56
    32   1    -0.47  -0.07   0.52    -0.05  -0.02  -0.03    -0.32  -0.11  -0.20
    33   1    -0.16   0.49   0.07     0.10  -0.02   0.01     0.61  -0.12   0.05
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1508.7614              1512.7155              1551.9124
 Red. masses --      1.0507                 1.0555                 2.4269
 Frc consts  --      1.4092                 1.4231                 3.4438
 IR Inten    --     11.7928                10.7917                22.8198
 RamAct Fr= 1--      0.8223                 2.1888                 0.2405
  Dep-P Fr= 1--      0.7475                 0.7496                 0.6851
  Dep-U Fr= 1--      0.8555                 0.8569                 0.8131
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0003
 Beta2  Fr= 1--      0.1172                 0.3126                 0.0326
 AlphaG Fr= 1--     -0.0007                -0.0004                 0.0012
 Gamma2 Fr= 1--      0.3393                 0.6016                 0.2496
 Delta2 Fr= 1--      0.0073                 0.2514                 0.1640
 Raman1 Fr= 1--       3.289                  8.755                  0.962
 ROA1   Fr= 1--      32.807                 65.802                 29.210
 CID1   Fr= 1--       9.974                  7.516                 30.363
 Raman2 Fr= 1--       1.407                  3.751                  0.391
 ROA2   Fr= 1--       8.085                 12.427                  4.678
 CID2   Fr= 1--       5.747                  3.313                 11.962
 Raman3 Fr= 1--       2.814                  7.502                  0.782
 ROA3   Fr= 1--      32.807                 65.802                 29.210
 CID3   Fr= 1--      11.659                  8.771                 37.341
 RC180  Fr= 1--       0.711                  0.714                  0.626
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.10   0.04  -0.08
     2   6    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.16  -0.01  -0.02
     3   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.09  -0.03   0.11
     4   6    -0.01   0.00   0.00    -0.00   0.00   0.00     0.15  -0.01  -0.02
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.10   0.04  -0.08
     6   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.08  -0.03   0.10
     7   6     0.02  -0.02  -0.01     0.01  -0.00  -0.00    -0.03   0.00   0.00
     8   6     0.03  -0.01  -0.01    -0.02  -0.04  -0.01    -0.00  -0.01  -0.00
     9   6     0.03  -0.01   0.01    -0.01  -0.03   0.01     0.00  -0.00   0.00
    10   6     0.02   0.00  -0.02    -0.02  -0.01  -0.03     0.00   0.00  -0.00
    11   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.03  -0.00   0.01
    12   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.01
    13   8     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   8     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.00   0.00   0.00    -0.01  -0.00  -0.01     0.44  -0.09   0.10
    16   1    -0.01  -0.00   0.01    -0.01   0.00   0.00     0.42   0.03  -0.25
    17   1    -0.01   0.00  -0.00    -0.01   0.00  -0.00     0.42  -0.09   0.10
    18   1    -0.00   0.00   0.00    -0.01  -0.01   0.00     0.39   0.03  -0.22
    19   1    -0.12   0.23  -0.08    -0.03   0.07  -0.02    -0.04   0.03  -0.00
    20   1    -0.08   0.11   0.23    -0.02   0.03   0.07    -0.04   0.01   0.03
    21   1     0.02  -0.05  -0.02     0.02   0.07   0.03     0.01   0.05   0.02
    22   1    -0.29   0.29  -0.18    -0.19   0.06   0.22    -0.02   0.02   0.01
    23   1    -0.29  -0.23  -0.15     0.36  -0.02  -0.18    -0.00  -0.01  -0.02
    24   1     0.10   0.12   0.22     0.06   0.45  -0.18     0.01   0.02   0.00
    25   1     0.06   0.23  -0.10     0.13   0.23   0.41     0.01   0.02   0.01
    26   1    -0.27  -0.29   0.02     0.38  -0.10   0.04    -0.00  -0.02   0.00
    27   1    -0.22   0.07   0.38    -0.23   0.18  -0.08    -0.02   0.01   0.01
    28   1     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.04   0.02   0.01
    29   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.01  -0.00   0.00
    30   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.06   0.03
    32   1    -0.01  -0.00   0.00    -0.00   0.00   0.00     0.05   0.01  -0.04
    33   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.02  -0.04  -0.01
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1617.5510              1658.1575              1805.9216
 Red. masses --      5.9930                 5.7764                 9.5445
 Frc consts  --      9.2387                 9.3574                18.3401
 IR Inten    --      0.1196                 0.8116               271.8030
 RamAct Fr= 1--      2.2536               121.1438                15.2486
  Dep-P Fr= 1--      0.6556                 0.4911                 0.1971
  Dep-U Fr= 1--      0.7920                 0.6587                 0.3293
 Alpha2 Fr= 1--      0.0038                 0.6233                 0.2087
 Beta2  Fr= 1--      0.2975                13.2993                 0.8369
 AlphaG Fr= 1--     -0.0618                -0.4679                -0.5048
 Gamma2 Fr= 1--      0.0976                -5.9290                -2.2895
 Delta2 Fr= 1--     -0.2221                -0.4203                 0.9397
 Raman1 Fr= 1--       9.014                484.575                 60.994
 ROA1   Fr= 1--       2.258               -582.633               -189.722
 CID1   Fr= 1--       0.250                 -1.202                 -3.110
 Raman2 Fr= 1--       3.570                159.592                 10.043
 ROA2   Fr= 1--       4.118               -138.933                -62.466
 CID2   Fr= 1--       1.154                 -0.871                 -6.220
 Raman3 Fr= 1--       7.139                319.184                 20.087
 ROA3   Fr= 1--       2.258               -582.633               -189.722
 CID3   Fr= 1--       0.316                 -1.825                 -9.445
 RC180  Fr= 1--       0.584                  0.317                 -0.341
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.08   0.17     0.30  -0.05   0.03    -0.01   0.00  -0.00
     2   6    -0.03   0.12  -0.32    -0.21   0.02   0.03     0.00  -0.00   0.00
     3   6     0.07   0.06  -0.20    -0.27  -0.00   0.11     0.01  -0.00   0.00
     4   6     0.05  -0.12   0.32     0.19  -0.02  -0.02    -0.02   0.00  -0.00
     5   6    -0.12   0.08  -0.18    -0.28   0.05  -0.03     0.01  -0.00   0.00
     6   6    -0.08  -0.07   0.21     0.27   0.01  -0.11    -0.01   0.00   0.00
     7   6     0.00  -0.01   0.04     0.03  -0.01  -0.01    -0.00   0.00  -0.00
     8   6     0.00  -0.00   0.01     0.00   0.01   0.00    -0.00  -0.00  -0.00
     9   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    10   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.02   0.02  -0.04    -0.02  -0.00   0.00    -0.01   0.04  -0.04
    12   6    -0.00  -0.01   0.00     0.00   0.00   0.02     0.25  -0.33   0.58
    13   8    -0.00   0.00  -0.00    -0.00   0.00  -0.01    -0.16   0.18  -0.38
    14   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.02   0.02  -0.05
    15   1    -0.29   0.03   0.04    -0.31   0.11  -0.19     0.02  -0.00   0.00
    16   1    -0.30   0.02   0.05     0.26   0.07  -0.29     0.02  -0.02  -0.01
    17   1     0.31  -0.03  -0.04     0.29  -0.11   0.17    -0.02   0.01  -0.01
    18   1     0.31  -0.02  -0.06    -0.25  -0.07   0.27     0.00   0.00  -0.01
    19   1    -0.21  -0.02  -0.01     0.02   0.01  -0.01     0.00  -0.00   0.00
    20   1     0.20   0.04  -0.03     0.02   0.00   0.01    -0.00   0.00  -0.00
    21   1    -0.00   0.01  -0.01    -0.01  -0.04  -0.01     0.00   0.00   0.00
    22   1    -0.02   0.01  -0.00     0.01  -0.00  -0.01     0.00  -0.00   0.00
    23   1    -0.01  -0.01  -0.01    -0.00   0.00   0.01    -0.00  -0.00  -0.00
    24   1     0.01   0.01   0.01    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    25   1    -0.00  -0.01  -0.00    -0.00  -0.01  -0.01    -0.00  -0.00   0.00
    26   1     0.01   0.02  -0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
    27   1     0.01  -0.01  -0.01     0.01  -0.01   0.00    -0.00  -0.00  -0.00
    28   1     0.28  -0.05   0.01    -0.02   0.01   0.00    -0.10   0.21   0.00
    29   6    -0.00   0.00   0.00    -0.01  -0.00  -0.00     0.01   0.00   0.01
    30   1     0.00   0.01   0.01     0.00   0.00   0.01     0.10   0.16   0.43
    31   1     0.00  -0.02   0.02     0.00   0.02   0.02     0.02  -0.04   0.01
    32   1    -0.02  -0.00  -0.00     0.02   0.00  -0.00    -0.06  -0.04  -0.09
    33   1     0.02   0.02   0.01     0.02  -0.00  -0.00     0.02  -0.06   0.01
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3002.7917              3025.9174              3027.4211
 Red. masses --      1.0816                 1.0346                 1.0481
 Frc consts  --      5.7461                 5.5812                 5.6600
 IR Inten    --     21.6556                34.6655                41.7976
 RamAct Fr= 1--    132.4014                14.9724                54.0717
  Dep-P Fr= 1--      0.4613                 0.6382                 0.5662
  Dep-U Fr= 1--      0.6313                 0.7791                 0.7230
 Alpha2 Fr= 1--      0.7752                 0.0303                 0.1880
 Beta2  Fr= 1--     13.9312                 1.9443                 6.5161
 AlphaG Fr= 1--     -0.0007                -0.0074                -0.0715
 Gamma2 Fr= 1--      0.7932                -0.6125                 1.7366
 Delta2 Fr= 1--     -0.9469                 1.2730                -0.5956
 Raman1 Fr= 1--     529.606                 59.890                216.287
 ROA1   Fr= 1--      45.848                -18.069                147.652
 CID1   Fr= 1--       0.087                 -0.302                  0.683
 Raman2 Fr= 1--     167.175                 23.331                 78.193
 ROA2   Fr= 1--      26.613                -24.885                 46.442
 CID2   Fr= 1--       0.159                 -1.067                  0.594
 Raman3 Fr= 1--     334.349                 46.662                156.385
 ROA3   Fr= 1--      45.848                -18.069                147.652
 CID3   Fr= 1--       0.137                 -0.387                  0.944
 RC180  Fr= 1--       0.263                  0.558                  0.446
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     4   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6     0.01  -0.01  -0.01    -0.00   0.00   0.00     0.02  -0.04  -0.02
     8   6    -0.08   0.02   0.02    -0.00   0.00  -0.00     0.01  -0.00  -0.00
     9   6     0.01  -0.00   0.00     0.00   0.00   0.04    -0.00  -0.00  -0.02
    10   6     0.01   0.00  -0.00     0.01  -0.02   0.02     0.00  -0.02   0.02
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.01     0.00   0.00  -0.00
    16   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    17   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    18   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   1    -0.03   0.03   0.18     0.01  -0.01  -0.03    -0.09   0.09   0.47
    20   1    -0.07   0.14  -0.10     0.02  -0.04   0.03    -0.17   0.37  -0.27
    21   1     0.91  -0.20  -0.19     0.01  -0.00  -0.00    -0.15   0.03   0.03
    22   1    -0.03  -0.04  -0.01    -0.26  -0.34  -0.09     0.14   0.18   0.05
    23   1    -0.01   0.04  -0.03    -0.14   0.38  -0.26     0.08  -0.22   0.15
    24   1    -0.08   0.02   0.02     0.39  -0.10  -0.09    -0.18   0.05   0.04
    25   1    -0.08   0.02   0.01    -0.33   0.09   0.07    -0.26   0.07   0.05
    26   1    -0.00   0.01   0.05     0.04  -0.09  -0.38     0.04  -0.08  -0.37
    27   1    -0.03  -0.04  -0.02     0.21   0.28   0.09     0.19   0.25   0.08
    28   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    29   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    31   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    32   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    33   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3032.9260              3047.3602              3063.7286
 Red. masses --      1.0480                 1.0356                 1.1040
 Frc consts  --      5.6801                 5.6660                 6.1052
 IR Inten    --     18.8853                25.6057                18.0449
 RamAct Fr= 1--    527.7783               225.5619                53.9313
  Dep-P Fr= 1--      0.0110                 0.0632                 0.7500
  Dep-U Fr= 1--      0.0217                 0.1188                 0.8571
 Alpha2 Fr= 1--     11.4310                 4.3176                 0.0000
 Beta2  Fr= 1--      1.9119                 4.4668                 7.7045
 AlphaG Fr= 1--      0.3217                -0.3318                -0.0016
 Gamma2 Fr= 1--      1.0261                 0.7580                 0.7712
 Delta2 Fr= 1--     -0.2645                 3.6057                 1.1922
 Raman1 Fr= 1--    2111.113                902.248                215.725
 ROA1   Fr= 1--      90.045                188.152                112.191
 CID1   Fr= 1--       0.043                  0.209                  0.520
 Raman2 Fr= 1--      22.942                 53.602                 92.454
 ROA2   Fr= 1--      26.744                -10.653                  8.972
 CID2   Fr= 1--       1.166                 -0.199                  0.097
 Raman3 Fr= 1--      45.885                107.204                184.907
 ROA3   Fr= 1--      90.045                188.152                112.191
 CID3   Fr= 1--       1.962                  1.755                  0.607
 RC180  Fr= 1--      -0.957                 -0.762                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6     0.02  -0.04  -0.02     0.00  -0.00  -0.00    -0.01   0.03  -0.09
     8   6     0.01  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.00   0.00   0.02    -0.00  -0.00   0.00     0.00  -0.01   0.00
    10   6    -0.01   0.02  -0.02    -0.00   0.00  -0.00    -0.00   0.00   0.01
    11   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    15   1     0.01   0.00  -0.01     0.00   0.00  -0.00     0.01   0.00  -0.01
    16   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   1     0.01  -0.01   0.01     0.00  -0.00   0.00    -0.01   0.01  -0.01
    19   1    -0.08   0.08   0.45    -0.00   0.00   0.00    -0.13   0.14   0.68
    20   1    -0.17   0.36  -0.26    -0.00   0.00  -0.00     0.25  -0.54   0.37
    21   1    -0.18   0.04   0.04    -0.00   0.00   0.00    -0.00  -0.00   0.00
    22   1    -0.16  -0.20  -0.06    -0.00  -0.00  -0.00     0.03   0.03   0.01
    23   1    -0.08   0.23  -0.16    -0.00   0.00  -0.00    -0.01   0.04  -0.03
    24   1     0.28  -0.07  -0.07     0.00  -0.00  -0.00    -0.03   0.01   0.01
    25   1     0.30  -0.08  -0.06     0.00  -0.00  -0.00     0.03  -0.01  -0.00
    26   1    -0.03   0.07   0.31    -0.00   0.00   0.00     0.00  -0.01  -0.05
    27   1    -0.17  -0.22  -0.06    -0.00  -0.00  -0.00    -0.03  -0.03  -0.01
    28   1    -0.00  -0.00   0.00    -0.01  -0.01   0.04    -0.00  -0.00   0.00
    29   6     0.00   0.00   0.00    -0.03  -0.03  -0.02    -0.00  -0.00  -0.00
    30   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   1    -0.01   0.00   0.00     0.66  -0.05  -0.14     0.00  -0.00  -0.00
    32   1     0.00  -0.00   0.00    -0.19   0.54  -0.09    -0.00   0.00  -0.00
    33   1     0.00   0.00  -0.00    -0.07  -0.11   0.44    -0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3070.4542              3085.7601              3088.3106
 Red. masses --      1.0840                 1.1020                 1.1008
 Frc consts  --      6.0212                 6.1823                 6.1860
 IR Inten    --      6.7738                15.1656                50.6078
 RamAct Fr= 1--     65.2810                38.2684               132.9325
  Dep-P Fr= 1--      0.1933                 0.7489                 0.6966
  Dep-U Fr= 1--      0.3239                 0.8565                 0.8212
 Alpha2 Fr= 1--      0.9024                 0.0007                 0.1239
 Beta2  Fr= 1--      3.5245                 5.4625                18.1937
 AlphaG Fr= 1--      0.0269                 0.0590                -0.1034
 Gamma2 Fr= 1--     -0.7670                -0.3282                -3.9789
 Delta2 Fr= 1--     -3.3643                 0.9806                -4.4983
 Raman1 Fr= 1--     261.124                153.074                531.730
 ROA1   Fr= 1--    -181.288                 -0.126               -525.918
 CID1   Fr= 1--      -0.694                 -0.001                 -0.989
 Raman2 Fr= 1--      42.294                 65.550                218.324
 ROA2   Fr= 1--       8.506                -15.722                -59.507
 CID2   Fr= 1--       0.201                 -0.240                 -0.273
 Raman3 Fr= 1--      84.589                131.100                436.649
 ROA3   Fr= 1--    -181.288                 -0.126               -525.918
 CID3   Fr= 1--      -2.143                 -0.001                 -1.204
 RC180  Fr= 1--      -0.352                  0.713                  0.642
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00  -0.00
     8   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     9   6     0.00   0.00  -0.00     0.01   0.07  -0.01     0.00  -0.06   0.01
    10   6     0.00   0.00   0.00    -0.02  -0.04  -0.04    -0.01  -0.04  -0.05
    11   6     0.01   0.02  -0.08     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   1    -0.00  -0.00   0.00     0.01   0.00  -0.01     0.00   0.00  -0.01
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    17   1     0.01   0.01  -0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
    18   1     0.00  -0.00   0.00    -0.01   0.00  -0.01     0.00  -0.00   0.00
    19   1     0.00  -0.00  -0.00    -0.01   0.01   0.06    -0.00   0.01   0.02
    20   1     0.00  -0.00   0.00     0.02  -0.05   0.03    -0.00   0.01  -0.01
    21   1     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.03   0.01   0.01
    22   1     0.00   0.00   0.00    -0.32  -0.41  -0.12     0.26   0.32   0.10
    23   1     0.00  -0.00   0.00     0.15  -0.41   0.29    -0.14   0.37  -0.27
    24   1    -0.00   0.00   0.00     0.06   0.00  -0.02    -0.14   0.02   0.04
    25   1    -0.00   0.00   0.00    -0.03  -0.00  -0.00    -0.10   0.02   0.00
    26   1     0.00  -0.00  -0.00    -0.05   0.08   0.44    -0.06   0.10   0.52
    27   1    -0.00  -0.00  -0.00     0.28   0.36   0.10     0.31   0.40   0.11
    28   1    -0.17  -0.22   0.94    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    29   6    -0.00  -0.00   0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
    30   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.04  -0.01  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   1    -0.01   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    33   1     0.03   0.04  -0.15     0.00   0.00  -0.00     0.00   0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3091.7159              3096.8921              3111.0142
 Red. masses --      1.1017                 1.1008                 1.1023
 Frc consts  --      6.2046                 6.2203                 6.2857
 IR Inten    --      7.4794                76.2276                26.7324
 RamAct Fr= 1--     12.1808                61.7734               106.8902
  Dep-P Fr= 1--      0.7499                 0.4740                 0.6824
  Dep-U Fr= 1--      0.8571                 0.6431                 0.8112
 Alpha2 Fr= 1--      0.0000                 0.3427                 0.1273
 Beta2  Fr= 1--      1.7399                 6.6216                14.4514
 AlphaG Fr= 1--      0.0061                -0.0484                 0.0757
 Gamma2 Fr= 1--      0.3083                 1.0214                 0.9102
 Delta2 Fr= 1--     -1.0678                 2.4967                -4.7643
 Raman1 Fr= 1--      48.723                247.093                427.561
 ROA1   Fr= 1--      -4.576                177.949                -65.078
 CID1   Fr= 1--      -0.094                  0.720                 -0.152
 Raman2 Fr= 1--      20.879                 79.459                173.416
 ROA2   Fr= 1--      15.941                  4.539                 59.958
 CID2   Fr= 1--       0.763                  0.057                  0.346
 Raman3 Fr= 1--      41.758                158.917                346.833
 ROA3   Fr= 1--      -4.576                177.949                -65.078
 CID3   Fr= 1--      -0.110                  1.120                 -0.188
 RC180  Fr= 1--       0.714                  0.286                  0.622
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.00   0.00  -0.00    -0.01   0.00   0.00     0.00  -0.00  -0.00
     9   6    -0.07   0.01  -0.00    -0.06   0.00  -0.00     0.00   0.00   0.00
    10   6     0.06  -0.00  -0.02    -0.06  -0.01   0.02     0.00   0.00   0.00
    11   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1    -0.00  -0.00   0.01     0.00   0.00  -0.01     0.00   0.00  -0.00
    16   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    17   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   1     0.00  -0.00   0.01     0.00  -0.00   0.01    -0.00   0.00  -0.00
    19   1    -0.00   0.01   0.03     0.00  -0.00  -0.02    -0.00   0.00   0.00
    20   1     0.01  -0.02   0.02     0.01  -0.01   0.01    -0.00   0.00  -0.00
    21   1     0.01  -0.00  -0.00     0.16  -0.04  -0.03    -0.00   0.00   0.00
    22   1     0.18   0.26   0.07     0.19   0.27   0.08    -0.00  -0.00  -0.00
    23   1     0.05  -0.19   0.13     0.04  -0.14   0.09     0.00   0.00  -0.00
    24   1     0.58  -0.15  -0.15     0.51  -0.13  -0.14    -0.00   0.00   0.00
    25   1    -0.54   0.15   0.10     0.57  -0.16  -0.10    -0.00   0.00   0.00
    26   1    -0.01   0.05   0.25     0.01  -0.04  -0.19     0.00   0.00  -0.00
    27   1    -0.14  -0.20  -0.06     0.20   0.28   0.09    -0.00  -0.00  -0.00
    28   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01   0.01  -0.05
    29   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.08   0.05   0.02
    30   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.69  -0.03  -0.14
    32   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.20  -0.63   0.12
    33   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.01   0.06  -0.19
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3129.9190              3161.7150              3167.3220
 Red. masses --      1.1014                 1.0868                 1.0871
 Frc consts  --      6.3569                 6.4007                 6.4257
 IR Inten    --     12.6711                11.0810                 8.4638
 RamAct Fr= 1--     27.6150                49.5182                51.8972
  Dep-P Fr= 1--      0.6774                 0.7265                 0.6480
  Dep-U Fr= 1--      0.8077                 0.8416                 0.7864
 Alpha2 Fr= 1--      0.0354                 0.0200                 0.0951
 Beta2  Fr= 1--      3.7173                 6.9456                 6.8023
 AlphaG Fr= 1--      0.0721                -0.0389                -0.1079
 Gamma2 Fr= 1--     -1.5070                 1.5709                -2.6595
 Delta2 Fr= 1--      2.1430                 0.1320                 1.2863
 Raman1 Fr= 1--     110.460                198.073                207.589
 ROA1   Fr= 1--     -76.097                155.034               -214.147
 CID1   Fr= 1--      -0.689                  0.783                 -1.032
 Raman2 Fr= 1--      44.608                 83.347                 81.627
 ROA2   Fr= 1--     -53.312                 36.646                -74.118
 CID2   Fr= 1--      -1.195                  0.440                 -0.908
 Raman3 Fr= 1--      89.216                166.694                163.254
 ROA3   Fr= 1--     -76.097                155.034               -214.147
 CID3   Fr= 1--      -0.853                  0.930                 -1.312
 RC180  Fr= 1--       0.615                  0.683                  0.573
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.03   0.02  -0.06
     2   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.02  -0.02   0.03
     4   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.02   0.02  -0.06    -0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00     0.03  -0.02   0.04    -0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    11   6     0.00   0.00  -0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1    -0.00  -0.00   0.01    -0.02  -0.01   0.04    -0.33  -0.22   0.75
    16   1    -0.02   0.01  -0.03    -0.02   0.01  -0.03    -0.30   0.18  -0.38
    17   1     0.01   0.01  -0.02    -0.30  -0.21   0.68     0.01   0.00  -0.02
    18   1     0.00  -0.00   0.00    -0.36   0.22  -0.46     0.05  -0.03   0.06
    19   1    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.01   0.00   0.02
    20   1     0.00  -0.00   0.00    -0.01   0.01  -0.01     0.00  -0.00   0.00
    21   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22   1     0.00   0.00   0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
    23   1     0.00  -0.00   0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
    24   1     0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    25   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.00  -0.00
    26   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.01
    27   1     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.01   0.00
    28   1    -0.02  -0.03   0.15    -0.01  -0.01   0.02     0.00   0.00  -0.00
    29   6     0.01   0.05  -0.08     0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    31   1    -0.19   0.02   0.02    -0.00   0.00   0.00     0.01  -0.00  -0.00
    32   1     0.15  -0.42   0.06     0.00  -0.00   0.00    -0.00   0.01  -0.00
    33   1    -0.13  -0.19   0.82    -0.00  -0.00   0.01     0.00   0.01  -0.03
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3178.7823              3185.4868              3723.6485
 Red. masses --      1.0936                 1.0937                 1.0639
 Frc consts  --      6.5106                 6.5389                 8.6917
 IR Inten    --     18.1419                 3.4109                62.4765
 RamAct Fr= 1--     93.8959               134.4572               130.1357
  Dep-P Fr= 1--      0.1442                 0.1280                 0.2436
  Dep-U Fr= 1--      0.2520                 0.2270                 0.3918
 Alpha2 Fr= 1--      1.4730                 2.1968                 1.5701
 Beta2  Fr= 1--      3.9443                 5.0860                 8.4971
 AlphaG Fr= 1--      0.5138                -0.5445                -0.4250
 Gamma2 Fr= 1--      3.9819                -0.8362                -6.2364
 Delta2 Fr= 1--      0.8507                -0.9600                -0.1353
 Raman1 Fr= 1--     375.584                537.829                520.543
 ROA1   Fr= 1--     409.486               -110.995               -603.023
 CID1   Fr= 1--       1.090                 -0.206                 -1.158
 Raman2 Fr= 1--      47.331                 61.033                101.965
 ROA2   Fr= 1--      88.761                -12.388               -148.592
 CID2   Fr= 1--       1.875                 -0.203                 -1.457
 Raman3 Fr= 1--      94.663                122.065                203.929
 ROA3   Fr= 1--     409.486               -110.995               -603.023
 CID3   Fr= 1--       4.326                 -0.909                 -2.957
 RC180  Fr= 1--      -0.496                 -0.546                 -0.216
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.02   0.01  -0.04     0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.01   0.01  -0.01    -0.04   0.03  -0.05     0.00   0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     5   6     0.02   0.01  -0.05    -0.00  -0.00   0.01     0.00   0.00   0.00
     6   6    -0.04   0.02  -0.05     0.01  -0.00   0.01    -0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     9   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    10   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    14   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.02  -0.06   0.01
    15   1    -0.02  -0.01   0.05    -0.20  -0.14   0.46    -0.00  -0.00   0.00
    16   1     0.10  -0.06   0.13     0.48  -0.29   0.61     0.00   0.00  -0.00
    17   1    -0.25  -0.17   0.55     0.04   0.03  -0.09     0.00   0.00  -0.00
    18   1     0.44  -0.27   0.55    -0.08   0.05  -0.10    -0.00   0.00  -0.00
    19   1     0.00  -0.00   0.00    -0.00   0.00   0.01    -0.00   0.00   0.00
    20   1     0.01  -0.01   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    23   1     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    24   1    -0.01   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    25   1     0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    26   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    27   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    28   1    -0.00  -0.00   0.01     0.00   0.00  -0.00    -0.00   0.00   0.00
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.25   0.94  -0.22
    31   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    32   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    33   1    -0.00  -0.00   0.01    -0.00  -0.01   0.02    -0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1525.328776240.173296479.96984
           X            0.99977   0.02139   0.00198
           Y           -0.02134   0.99956  -0.02054
           Z           -0.00242   0.02049   0.99979
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.05678     0.01388     0.01337
 Rotational constants (GHZ):           1.18318     0.28921     0.27851
 Zero-point vibrational energy     747039.7 (Joules/Mol)
                                  178.54677 (Kcal/Mol)
 Warning -- explicit consideration of  22 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     35.48    53.94    69.11    83.01   130.92
          (Kelvin)            164.09   225.10   288.66   322.11   356.53
                              369.81   387.20   405.64   493.15   507.58
                              560.85   585.21   604.84   613.86   683.65
                              808.32   826.72   901.69   926.14   958.21
                             1018.95  1092.44  1130.24  1184.04  1197.46
                             1231.73  1234.10  1251.71  1295.97  1356.42
                             1379.47  1395.71  1401.09  1413.01  1460.01
                             1506.19  1559.36  1575.43  1587.85  1597.86
                             1649.17  1671.51  1731.09  1745.71  1760.45
                             1779.24  1790.79  1842.60  1884.34  1884.64
                             1941.94  1965.83  1978.88  1997.19  2003.48
                             2022.12  2037.48  2050.38  2101.89  2142.78
                             2143.65  2146.92  2155.07  2156.57  2170.77
                             2176.46  2232.86  2327.30  2385.72  2598.32
                             4320.35  4353.62  4355.78  4363.70  4384.47
                             4408.02  4417.70  4439.72  4443.39  4448.29
                             4455.74  4476.06  4503.26  4549.00  4557.07
                             4573.56  4583.21  5357.50
 
 Zero-point correction=                           0.284532 (Hartree/Particle)
 Thermal correction to Energy=                    0.300060
 Thermal correction to Enthalpy=                  0.301004
 Thermal correction to Gibbs Free Energy=         0.240320
 Sum of electronic and zero-point Energies=           -656.739078
 Sum of electronic and thermal Energies=              -656.723551
 Sum of electronic and thermal Enthalpies=            -656.722607
 Sum of electronic and thermal Free Energies=         -656.783291
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.290             58.557            127.720
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.489
 Vibrational            186.513             52.596             53.357
 Vibration     1          0.593              1.985              6.218
 Vibration     2          0.594              1.982              5.388
 Vibration     3          0.595              1.978              4.897
 Vibration     4          0.596              1.974              4.534
 Vibration     5          0.602              1.956              3.639
 Vibration     6          0.607              1.938              3.199
 Vibration     7          0.620              1.895              2.592
 Vibration     8          0.638              1.839              2.127
 Vibration     9          0.649              1.805              1.927
 Vibration    10          0.661              1.766              1.746
 Vibration    11          0.667              1.751              1.682
 Vibration    12          0.674              1.730              1.602
 Vibration    13          0.681              1.707              1.522
 Vibration    14          0.722              1.590              1.199
 Vibration    15          0.729              1.570              1.154
 Vibration    16          0.758              1.492              1.001
 Vibration    17          0.772              1.456              0.938
 Vibration    18          0.783              1.426              0.891
 Vibration    19          0.788              1.412              0.870
 Vibration    20          0.832              1.305              0.723
 Vibration    21          0.918              1.114              0.520
 Vibration    22          0.931              1.086              0.495
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.288683-110       -110.539579       -254.526787
 Total V=0       0.216829D+21         20.336117         46.825640
 Vib (Bot)       0.882757-125       -125.054159       -287.947842
 Vib (Bot)    1  0.839749D+01          0.924149          2.127933
 Vib (Bot)    2  0.551996D+01          0.741936          1.708371
 Vib (Bot)    3  0.430461D+01          0.633934          1.459686
 Vib (Bot)    4  0.357998D+01          0.553881          1.275357
 Vib (Bot)    5  0.225915D+01          0.353945          0.814989
 Vib (Bot)    6  0.179428D+01          0.253889          0.584601
 Vib (Bot)    7  0.129357D+01          0.111791          0.257409
 Vib (Bot)    8  0.993612D+00         -0.002783         -0.006409
 Vib (Bot)    9  0.882076D+00         -0.054494         -0.125477
 Vib (Bot)   10  0.788433D+00         -0.103235         -0.237708
 Vib (Bot)   11  0.756781D+00         -0.121030         -0.278681
 Vib (Bot)   12  0.718444D+00         -0.143607         -0.330667
 Vib (Bot)   13  0.681236D+00         -0.166702         -0.383847
 Vib (Bot)   14  0.540797D+00         -0.266966         -0.614712
 Vib (Bot)   15  0.522029D+00         -0.282305         -0.650031
 Vib (Bot)   16  0.460623D+00         -0.336655         -0.775176
 Vib (Bot)   17  0.436028D+00         -0.360486         -0.830049
 Vib (Bot)   18  0.417564D+00         -0.379277         -0.873317
 Vib (Bot)   19  0.409451D+00         -0.387798         -0.892938
 Vib (Bot)   20  0.353436D+00         -0.451689         -1.040053
 Vib (Bot)   21  0.276158D+00         -0.558842         -1.286782
 Vib (Bot)   22  0.266627D+00         -0.574095         -1.321903
 Vib (V=0)       0.663036D+06          5.821537         13.404585
 Vib (V=0)    1  0.891236D+01          0.949993          2.187439
 Vib (V=0)    2  0.604256D+01          0.781221          1.798828
 Vib (V=0)    3  0.483355D+01          0.684266          1.575581
 Vib (V=0)    4  0.411473D+01          0.614341          1.414573
 Vib (V=0)    5  0.281382D+01          0.449296          1.034543
 Vib (V=0)    6  0.236264D+01          0.373397          0.859779
 Vib (V=0)    7  0.188684D+01          0.275736          0.634905
 Vib (V=0)    8  0.161232D+01          0.207452          0.477677
 Vib (V=0)    9  0.151393D+01          0.180106          0.414710
 Vib (V=0)   10  0.143361D+01          0.156431          0.360195
 Vib (V=0)   11  0.140704D+01          0.148306          0.341487
 Vib (V=0)   12  0.137531D+01          0.138400          0.318677
 Vib (V=0)   13  0.134503D+01          0.128733          0.296419
 Vib (V=0)   14  0.123652D+01          0.092201          0.212301
 Vib (V=0)   15  0.122285D+01          0.087374          0.201186
 Vib (V=0)   16  0.117983D+01          0.071821          0.165373
 Vib (V=0)   17  0.116342D+01          0.065735          0.151360
 Vib (V=0)   18  0.115143D+01          0.061237          0.141004
 Vib (V=0)   19  0.114626D+01          0.059283          0.136503
 Vib (V=0)   20  0.111230D+01          0.046224          0.106434
 Vib (V=0)   21  0.107119D+01          0.029868          0.068774
 Vib (V=0)   22  0.106665D+01          0.028021          0.064521
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.281133D+07          6.448912         14.849169
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111100000000000                           8665554444444443333333222222111100009999998888877766655444433322222211     
     2        87663199887643220                           051510999986210987651184321064109841877540755328506427672209548654205195432
     4        59720172860473763                           688239982091565285600015743326145475240931086236986475257070332978416418875
 
     X        XXXXXXXXXXXXXXXXX                           XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX  X XXXXXXXXXXXXXXXXXX XXXXXXXXXXX XXXX
     X             XX X   X XXX                           X  X           X            XX X X        X      X XXXX                    
     X              X X     XX                            X              X            XX X X               X  XX                     
     X              X X                                   X                           X    X                                         
     X              X                                     X                           X                                              
                    X                                     X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000002700   -0.000000405    0.000001092
      2        6           0.000001237    0.000003018   -0.000005361
      3        6           0.000000234   -0.000000515    0.000000826
      4        6          -0.000015854   -0.000002116    0.000005902
      5        6           0.000007750   -0.000004050   -0.000000903
      6        6          -0.000006593    0.000000545    0.000003350
      7        6          -0.000006712    0.000006523    0.000004967
      8        6          -0.000004530    0.000001275    0.000001615
      9        6           0.000004080   -0.000004027   -0.000012761
     10        6           0.000004161   -0.000010994    0.000003978
     11        6           0.000029668    0.000004342   -0.000000610
     12        6          -0.000007416    0.000002545    0.000004038
     13        8           0.000001254   -0.000000520   -0.000003365
     14        8           0.000000324   -0.000006314   -0.000004531
     15        1           0.000000299   -0.000002215    0.000000615
     16        1          -0.000000765    0.000000864    0.000001066
     17        1          -0.000000937    0.000003315   -0.000000179
     18        1           0.000000372    0.000001211   -0.000001255
     19        1           0.000001962   -0.000003538   -0.000000475
     20        1           0.000002378   -0.000003105   -0.000001875
     21        1           0.000004131    0.000004194    0.000001038
     22        1          -0.000001097    0.000001730    0.000000018
     23        1          -0.000001506    0.000000662    0.000000570
     24        1          -0.000001499    0.000003211    0.000004080
     25        1          -0.000001511    0.000003334   -0.000002528
     26        1          -0.000001485   -0.000001268   -0.000001264
     27        1          -0.000001114    0.000001344   -0.000000962
     28        1          -0.000005019    0.000000639    0.000003479
     29        6           0.000002628   -0.000006374   -0.000006008
     30        1          -0.000001168    0.000005075   -0.000001348
     31        1          -0.000003043   -0.000000872    0.000000886
     32        1          -0.000001601    0.000000940    0.000003482
     33        1          -0.000001327    0.000001549    0.000002424
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000029668 RMS     0.000004878
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.211074D+03 -0.974809D+00  0.178636D+01
      2  -0.974809D+00  0.139103D+03 -0.779247D+01
      3   0.178636D+01 -0.779247D+01  0.154635D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.102001D+02 -0.783509D+01  0.233414D+02
      2   0.241848D+01 -0.790040D+01  0.500698D+02
      3  -0.114100D+03 -0.346303D+02  0.146027D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.158628D+03  0.509928D+02 -0.248864D+02
      2  -0.896965D+02 -0.312845D+02  0.358896D+02
      3  -0.689319D+02 -0.197083D+02 -0.110032D+02
      4  -0.328402D+02  0.692987D+02 -0.165626D+02
      5  -0.283787D+02 -0.234147D+02  0.110659D+03
      6   0.137846D+01  0.201591D+02 -0.304398D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.110653D+02  0.147027D-01  0.701020D+00  0.544819D+01  0.193350D+01
      2   0.147027D-01  0.122447D+01 -0.917353D-01  0.193350D+01  0.183267D+01
      3   0.701020D+00 -0.917353D-01  0.147312D+01 -0.531747D+00 -0.278718D+01
                 6             7             8             9            10 
      1  -0.531747D+00 -0.947121D+01  0.269925D+00 -0.281778D+00  0.290830D+02
      2  -0.278718D+01  0.269925D+00 -0.134815D+01 -0.101572D+01  0.157290D+01
      3  -0.207363D+01 -0.281778D+00 -0.101572D+01 -0.209225D+01 -0.122922D+01
                11            12            13            14            15 
      1   0.157290D+01 -0.122922D+01 -0.123309D+01  0.358474D+01  0.154591D+01
      2   0.177516D+01 -0.720504D+00  0.358474D+01 -0.146412D+01 -0.556222D-01
      3  -0.720504D+00  0.298238D+01  0.154591D+01 -0.556222D-01 -0.108109D+01
                16            17            18            19            20 
      1  -0.343958D+01  0.165765D+01  0.115915D+01  0.803883D+01 -0.283230D+00
      2   0.165765D+01  0.342455D-01 -0.913209D+00 -0.283230D+00 -0.120091D+01
      3   0.115915D+01 -0.913209D+00 -0.250851D+00 -0.708338D+00 -0.451465D+00
                21            22            23            24            25 
      1  -0.708338D+00  0.381852D+01 -0.151879D+01 -0.109226D+01 -0.131203D+02
      2  -0.451465D+00 -0.151879D+01  0.256272D+01 -0.214686D+01  0.937071D-01
      3  -0.337177D+01 -0.109226D+01 -0.214686D+01 -0.108440D+01  0.339928D+00
                26            27            28            29            30 
      1   0.937071D-01  0.339928D+00 -0.266625D+02 -0.273004D+00  0.112358D+01
      2  -0.823888D+00 -0.755760D+00 -0.273004D+00 -0.156296D+01  0.248006D+00
      3  -0.755760D+00 -0.150529D+01  0.112358D+01  0.248006D+00 -0.270230D+01
                31            32            33            34            35 
      1   0.244394D+01 -0.465389D+01 -0.152114D+01  0.298321D+01 -0.145298D+01
      2  -0.465389D+01  0.784206D+00  0.462999D+00 -0.145298D+01  0.106110D+00
      3  -0.152114D+01  0.462999D+00  0.230766D+00 -0.619039D+00 -0.765504D+00
                36            37            38            39            40 
      1  -0.619039D+00  0.123679D+02 -0.701936D+00 -0.102608D+01 -0.442959D+01
      2  -0.765504D+00 -0.701936D+00 -0.256312D+01  0.149362D+01 -0.157650D+01
      3   0.747923D+00 -0.102608D+01  0.149362D+01 -0.199788D+01  0.857742D-01
                41            42            43            44            45 
      1  -0.157650D+01  0.857742D-01  0.107150D+02 -0.172872D+01  0.366864D+00
      2  -0.272638D+01  0.242501D+01 -0.172872D+01  0.132745D+01  0.127333D+01
      3   0.242501D+01  0.194479D+01  0.366864D+00  0.127333D+01  0.183223D+01
                46            47            48            49            50 
      1  -0.915468D+01  0.743702D+00  0.868052D+00 -0.208886D+01  0.133816D+01
      2   0.743702D+00  0.184855D+01 -0.703693D+00  0.133816D+01 -0.371712D+01
      3   0.868052D+00 -0.703693D+00  0.348891D+01  0.184148D+01  0.208075D+01
                51            52            53            54            55 
      1   0.184148D+01  0.130080D+02  0.127329D+01 -0.727596D+00 -0.135326D+02
      2   0.208075D+01  0.127329D+01 -0.512004D-01  0.136320D+01 -0.299578D+01
      3   0.972881D+00 -0.727596D+00  0.136320D+01  0.902694D+00 -0.567844D+00
                56            57            58            59            60 
      1  -0.299578D+01 -0.567844D+00 -0.671842D+01 -0.690439D+01 -0.340697D+00
      2  -0.380362D+01  0.386495D-01 -0.690439D+01  0.344349D+00 -0.205018D+01
      3   0.386495D-01 -0.147416D+01 -0.340697D+00 -0.205018D+01  0.165558D+01
                61            62            63            64            65 
      1  -0.176725D+01 -0.530800D+00 -0.306417D+01 -0.373201D+01  0.457628D+01
      2  -0.530800D+00 -0.275666D+01  0.276084D+01  0.457628D+01  0.326104D+01
      3  -0.306417D+01  0.276084D+01  0.475150D+01  0.251530D+01 -0.341823D+00
                66            67            68            69            70 
      1   0.251530D+01  0.125263D+02  0.501239D+01 -0.902331D-01  0.547670D+01
      2  -0.341823D+00  0.501239D+01  0.131498D+01  0.341415D+01  0.732739D+00
      3   0.772479D+00 -0.902331D-01  0.341415D+01 -0.265988D+01  0.525276D-01
                71            72            73            74            75 
      1   0.732739D+00  0.525276D-01  0.307523D+01 -0.334209D+01 -0.250239D+01
      2   0.352260D+01 -0.235959D+01 -0.334209D+01 -0.330929D+01 -0.428952D-01
      3  -0.235959D+01 -0.454580D+01 -0.250239D+01 -0.428952D-01 -0.129512D+01
                76            77            78            79            80 
      1  -0.483537D+01 -0.439238D+01 -0.407690D-01 -0.287903D+01  0.203509D+00
      2  -0.439238D+01 -0.802660D+00 -0.432070D+01  0.203509D+00 -0.314894D+01
      3  -0.407690D-01 -0.432070D+01  0.276957D+01 -0.267464D+00  0.234686D+01
                81            82            83            84            85 
      1  -0.267464D+00  0.299842D+01 -0.400853D+01 -0.149330D+01 -0.607221D+01
      2   0.234686D+01 -0.400853D+01 -0.384569D+01  0.356541D+00 -0.414311D+01
      3   0.288754D+01 -0.149330D+01  0.356541D+00 -0.848930D+00 -0.591486D-01
                86            87            88            89            90 
      1  -0.414311D+01 -0.591486D-01 -0.222832D+01 -0.901722D+00 -0.637938D+00
      2  -0.238158D+01 -0.253901D+01 -0.901722D+00 -0.330803D+01  0.180993D+01
      3  -0.253901D+01  0.285417D+01 -0.637938D+00  0.180993D+01  0.606728D+01
                91            92            93            94            95 
      1   0.409492D+01  0.261430D+01  0.508603D+00  0.178904D-01  0.550088D+01
      2   0.261430D+01  0.187692D+01  0.103890D+01  0.550088D+01 -0.365063D+01
      3   0.508603D+00  0.103890D+01  0.137099D+01  0.189899D+01 -0.592632D-01
                96            97            98            99           100 
      1   0.189899D+01  0.390733D+01  0.175499D+01  0.190112D+01  0.244407D+01
      2  -0.592632D-01  0.175499D+01  0.192657D+01  0.196593D+01 -0.170655D+01
      3   0.152345D+01  0.190112D+01  0.196593D+01 -0.406439D+01  0.156714D+01
               101           102           103           104           105 
      1  -0.170655D+01  0.156714D+01 -0.160980D+01 -0.658836D+00 -0.136107D+01
      2   0.235357D+00 -0.928873D+00 -0.658836D+00  0.364968D+01  0.170344D+00
      3  -0.928873D+00  0.299549D+00 -0.136107D+01  0.170344D+00 -0.170431D+01
               106           107           108           109           110 
      1   0.258559D+01 -0.256001D+01  0.129561D+01 -0.528843D+01  0.216315D+01
      2  -0.256001D+01  0.186085D+01 -0.264730D+01  0.216315D+01 -0.151838D+01
      3   0.129561D+01 -0.264730D+01  0.277417D+01 -0.342327D+01  0.738385D+00
               111           112           113           114           115 
      1  -0.342327D+01  0.310823D+01 -0.245340D+01  0.129320D+01 -0.748645D+01
      2   0.738385D+00 -0.245340D+01  0.269461D+01 -0.225271D+01  0.297349D+01
      3  -0.177945D+01  0.129320D+01 -0.225271D+01  0.208962D+01 -0.308860D+01
               116           117           118           119           120 
      1   0.297349D+01 -0.308860D+01  0.101183D+01  0.530087D-01  0.125228D+01
      2  -0.438600D+01  0.217491D+01  0.530087D-01  0.203975D+01  0.441502D+00
      3   0.217491D+01 -0.727846D+01  0.125228D+01  0.441502D+00  0.290706D+00
               121           122           123           124           125 
      1   0.365509D-01  0.206622D+01  0.151943D+00  0.325233D+01 -0.115109D+01
      2   0.206622D+01 -0.611655D+01  0.693561D+00 -0.115109D+01  0.288027D+01
      3   0.151943D+00  0.693561D+00  0.218422D+00 -0.934583D+00  0.262877D+01
               126           127           128           129           130 
      1  -0.934583D+00  0.188230D+01  0.605708D+00 -0.184201D+01  0.254473D+00
      2   0.262877D+01  0.605708D+00  0.259206D+00 -0.327523D+00  0.146003D+00
      3   0.465949D+01 -0.184201D+01 -0.327523D+00  0.195946D+01 -0.535381D+00
               131           132           133           134           135 
      1   0.146003D+00 -0.535381D+00 -0.220951D+01 -0.882147D+00  0.262895D+01
      2   0.364871D+00 -0.536970D+00 -0.882147D+00 -0.113507D+01  0.156810D+01
      3  -0.536970D+00  0.197844D+01  0.262895D+01  0.156810D+01 -0.696139D+01
               136           137           138           139           140 
      1  -0.344708D+01  0.985137D+00 -0.178892D+01  0.152314D+01 -0.583396D+00
      2   0.985137D+00 -0.738043D+00  0.617053D+00 -0.583396D+00  0.623103D+00
      3  -0.178892D+01  0.617053D+00 -0.173849D+01  0.113410D+01 -0.641971D+00
               141           142           143           144           145 
      1   0.113410D+01 -0.246778D+01  0.992465D+00 -0.241978D+01 -0.199089D+01
      2  -0.641971D+00  0.992465D+00 -0.124089D+01  0.144727D+01 -0.633960D+00
      3   0.172596D+01 -0.241978D+01  0.144727D+01 -0.430750D+01  0.204823D+01
               146           147           148           149           150 
      1  -0.633960D+00  0.204823D+01 -0.358101D+00 -0.167872D+00  0.639976D+00
      2  -0.333782D+00  0.631842D+00 -0.167872D+00 -0.574429D+00  0.804689D+00
      3   0.631842D+00 -0.224095D+01  0.639976D+00  0.804689D+00 -0.231617D+01
               151           152           153           154           155 
      1   0.202955D+01  0.103058D+01 -0.263539D+01  0.348244D+01 -0.112165D+01
      2   0.103058D+01  0.160088D+01 -0.242283D+01 -0.112165D+01  0.100653D+01
      3  -0.263539D+01 -0.242283D+01  0.723873D+01  0.242127D+01 -0.108248D+01
               156           157           158           159           160 
      1   0.242127D+01 -0.195231D+01  0.822347D+00 -0.143315D+01  0.246316D+01
      2  -0.108248D+01  0.822347D+00 -0.918095D+00  0.991220D+00 -0.125229D+01
      3   0.211593D+01 -0.143315D+01  0.991220D+00 -0.203836D+01  0.271535D+01
               161           162           163           164           165 
      1  -0.125229D+01  0.271535D+01  0.155939D+01 -0.375808D+00 -0.159016D+01
      2   0.172345D+01 -0.209662D+01 -0.375808D+00  0.874980D+00  0.436940D+00
      3  -0.209662D+01  0.460045D+01 -0.159016D+01  0.436940D+00  0.132317D+01
               166           167           168           169           170 
      1   0.108512D+01  0.145098D+01  0.424843D+00 -0.451297D+01  0.684594D+00
      2   0.145098D+01 -0.110437D+01 -0.118503D+01  0.684594D+00 -0.182619D+01
      3   0.424843D+00 -0.118503D+01 -0.126239D+01  0.293274D+01 -0.247951D+01
               171           172           173           174           175 
      1   0.293274D+01  0.330067D+01 -0.181380D+01  0.101839D+01 -0.268616D+01
      2  -0.247951D+01 -0.181380D+01  0.236008D+01 -0.368489D+00  0.316254D+01
      3  -0.663880D+01  0.101839D+01 -0.368489D+00  0.664723D+00 -0.513387D+00
               176           177           178           179           180 
      1   0.316254D+01 -0.513387D+00  0.435073D+01 -0.927647D+00  0.115993D+01
      2  -0.548039D+01  0.136297D+01 -0.927647D+00  0.271687D+01 -0.152920D+01
      3   0.136297D+01 -0.109563D+01  0.115993D+01 -0.152920D+01  0.867429D+00
               181           182           183           184           185 
      1   0.129279D+02 -0.149403D+01 -0.168281D+01 -0.321433D+01  0.114649D+01
      2  -0.149403D+01  0.116302D+01  0.218028D+00  0.114649D+01 -0.992499D+00
      3  -0.168281D+01  0.218028D+00  0.144455D+01  0.160749D+00 -0.699385D+00
               186           187           188           189           190 
      1   0.160749D+00 -0.239216D+01  0.971621D-02  0.191396D+01  0.418938D+01
      2  -0.699385D+00  0.971621D-02 -0.785587D+00  0.763457D-01  0.303596D+01
      3  -0.108552D+00  0.191396D+01  0.763457D-01 -0.311456D+00  0.219851D+01
               191           192           193           194           195 
      1   0.303596D+01  0.219851D+01  0.395115D+01  0.375486D+01  0.192382D+01
      2   0.289083D+01  0.127677D+01  0.375486D+01  0.488659D+01  0.255590D+01
      3   0.127677D+01  0.187998D+01  0.192382D+01  0.255590D+01  0.211128D+01
               196           197           198           199           200 
      1   0.131585D+01  0.896983D+00  0.151464D+01  0.122497D+01 -0.679115D+00
      2   0.896983D+00  0.133769D+01  0.116663D+01 -0.679115D+00  0.132069D+01
      3   0.151464D+01  0.116663D+01  0.131355D+01  0.149950D+01 -0.669815D+00
               201           202           203           204           205 
      1   0.149950D+01 -0.156005D+01  0.135848D+01 -0.134882D+01  0.156059D+01
      2  -0.669815D+00  0.135848D+01 -0.343988D+01  0.261247D+01 -0.676607D+00
      3   0.149984D+01 -0.134882D+01  0.261247D+01 -0.360266D+01  0.148149D+01
               206           207           208           209           210 
      1  -0.676607D+00  0.148149D+01 -0.699445D+01  0.267726D+00  0.691677D+00
      2   0.208941D+01 -0.205235D+01  0.267726D+00 -0.131462D+01 -0.799784D+00
      3  -0.205235D+01  0.369935D+01  0.691677D+00 -0.799784D+00 -0.200447D+01
               211           212           213           214           215 
      1   0.319551D+00 -0.699687D+00 -0.580341D+00  0.742704D+00 -0.407724D+00
      2  -0.699687D+00  0.812213D+00  0.827502D+00 -0.407724D+00  0.611465D+00
      3  -0.580341D+00  0.827502D+00  0.454257D+00 -0.844439D+00  0.114095D+00
               216           217           218           219           220 
      1  -0.844439D+00 -0.552851D+01  0.127345D+01  0.547600D+00  0.298834D+01
      2   0.114095D+00  0.127345D+01 -0.183661D+01  0.236665D+00  0.149709D+00
      3   0.103928D+01  0.547600D+00  0.236665D+00 -0.105111D+01 -0.154499D+00
               221           222           223           224           225 
      1   0.149709D+00 -0.154499D+00  0.708315D+00 -0.223464D+00 -0.438913D+00
      2   0.212456D+01  0.342792D-01 -0.223464D+00  0.679012D+00  0.157174D+00
      3   0.342792D-01  0.244478D+00 -0.438913D+00  0.157174D+00 -0.329347D+00
               226           227           228           229           230 
      1   0.340731D+00  0.440571D+00 -0.106498D+01  0.409618D-01  0.364912D+00
      2   0.440571D+00  0.576623D+00 -0.111213D+00  0.364912D+00 -0.447833D-01
      3  -0.106498D+01 -0.111213D+00  0.976441D+00  0.532804D-01 -0.627423D+00
               231           232           233           234           235 
      1   0.532804D-01 -0.149175D+01 -0.321971D+00  0.127824D+01  0.352192D+01
      2  -0.627423D+00 -0.321971D+00 -0.134237D+01  0.461703D+00  0.353797D+01
      3  -0.116201D+01  0.127824D+01  0.461703D+00 -0.879405D+01  0.207827D-01
               236           237           238           239           240 
      1   0.353797D+01  0.207827D-01  0.358073D+01  0.430399D+01 -0.150868D+00
      2   0.407175D+01 -0.193605D+00  0.430399D+01  0.718799D+01 -0.372245D-01
      3  -0.193605D+00  0.944272D+00 -0.150868D+00 -0.372245D-01  0.741497D+00
               241           242           243           244           245 
      1   0.107913D+01  0.811971D+00  0.781436D+00  0.365446D+00 -0.876270D+00
      2   0.811971D+00  0.161938D+01  0.661783D+00 -0.876270D+00 -0.453198D+00
      3   0.781436D+00  0.661783D+00 -0.151478D+00  0.129609D+01  0.662794D-01
               246           247           248           249           250 
      1   0.129609D+01 -0.131042D+01 -0.959446D+00  0.173080D+00  0.255255D+01
      2   0.662794D-01 -0.959446D+00 -0.593927D+00  0.108019D+01  0.214712D+00
      3  -0.110064D+01  0.173080D+00  0.108019D+01 -0.123200D+01 -0.191012D+01
               251           252           253           254           255 
      1   0.214712D+00 -0.191012D+01  0.788501D+01 -0.717711D+00 -0.194183D+01
      2   0.147380D+01 -0.107814D+01 -0.717711D+00 -0.346668D+01 -0.829984D+00
      3  -0.107814D+01  0.594694D+01 -0.194183D+01 -0.829984D+00 -0.112677D+01
               256           257           258           259           260 
      1  -0.502207D+01 -0.366678D+01 -0.125652D+01 -0.645240D+01 -0.153954D+01
      2  -0.366678D+01  0.380397D+01 -0.130934D+01 -0.153954D+01 -0.246467D+01
      3  -0.125652D+01 -0.130934D+01 -0.188286D+01 -0.158099D+01 -0.147517D+01
               261           262           263           264           265 
      1  -0.158099D+01 -0.973479D+00  0.143570D+01  0.493546D+00  0.160958D+01
      2  -0.147517D+01  0.143570D+01 -0.194473D+01 -0.476772D+00 -0.278025D+01
      3   0.364516D+01  0.493546D+00 -0.476772D+00 -0.411017D+00 -0.560220D+00
               266           267           268           269           270 
      1  -0.278025D+01 -0.560220D+00 -0.232312D+00  0.504244D+00 -0.208904D+00
      2   0.970162D+01  0.193060D+01  0.504244D+00 -0.138637D+01  0.553553D+00
      3   0.193060D+01  0.170520D+01 -0.208904D+00  0.553553D+00  0.473658D+00
               271           272           273           274           275 
      1  -0.150254D+02 -0.188527D+01  0.303653D+00  0.684374D+00 -0.100160D+01
      2  -0.188527D+01 -0.139853D+01 -0.128710D+00 -0.100160D+01 -0.481357D+00
      3   0.303653D+00 -0.128710D+00 -0.106109D+01  0.925360D-01  0.211442D+00
               276           277           278           279           280 
      1   0.925360D-01  0.241149D+01  0.464205D+00 -0.116100D+01 -0.180375D-01
      2   0.211442D+00  0.464205D+00  0.629049D+00 -0.147149D-01 -0.723806D+00
      3   0.259508D+00 -0.116100D+01 -0.147149D-01  0.716253D-01  0.307510D+00
               281           282           283           284           285 
      1  -0.723806D+00  0.307510D+00 -0.153504D+01 -0.259763D+00 -0.374155D-01
      2   0.205137D+01  0.223966D+00 -0.259763D+00 -0.840375D+01 -0.205353D-01
      3   0.223966D+00  0.403567D+00 -0.374155D-01 -0.205353D-01 -0.922650D+00
               286           287           288           289           290 
      1   0.993561D+00  0.324655D+00  0.471864D-01 -0.381085D+00  0.312278D+00
      2   0.324655D+00  0.123322D+01 -0.714334D+00  0.312278D+00  0.453833D+00
      3   0.471864D-01 -0.714334D+00 -0.113529D+00 -0.521585D+00  0.206218D+00
               291           292           293           294           295 
      1  -0.521585D+00  0.118881D+01  0.323878D+00  0.187992D+00 -0.198474D+01
      2   0.206218D+00  0.323878D+00  0.204376D+00 -0.388686D+00 -0.336713D+00
      3   0.314067D+00  0.187992D+00 -0.388686D+00  0.746743D+00 -0.748419D+00
               296           297 
      1  -0.336713D+00 -0.748419D+00
      2  -0.136829D+01 -0.210467D+00
      3  -0.210467D+00 -0.617440D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.286993D+01 -0.204385D+01  0.175484D+01 -0.734835D+01 -0.205635D+01
      2   0.356631D+01 -0.254094D+01  0.943924D+01 -0.263274D+01  0.210255D+01
      3   0.188202D+02 -0.123855D+01  0.275932D+01  0.707440D+01 -0.163242D+01
                 6             7             8             9            10 
      1  -0.238374D+01 -0.566045D+00  0.237157D+01 -0.845357D-01 -0.370257D+01
      2  -0.370458D+01 -0.455277D+01 -0.117972D+01  0.248915D+01 -0.924641D+00
      3   0.261510D+01  0.147942D+02  0.604399D+00  0.257219D+01 -0.359007D+02
                11            12            13            14            15 
      1  -0.414218D+00  0.123227D+01  0.344985D+01  0.468491D+01 -0.886748D+01
      2   0.531309D+00 -0.242785D+01  0.432587D+01 -0.347026D+00  0.412857D+00
      3  -0.171201D+01  0.106794D+01  0.105567D+02 -0.191732D+01 -0.105428D+01
                16            17            18            19            20 
      1  -0.420242D+01 -0.231373D+01 -0.457947D+01 -0.118325D+01  0.142808D+01
      2  -0.225978D+02 -0.151973D+01 -0.385419D+01 -0.470000D+01 -0.203336D+01
      3  -0.591388D-01 -0.154344D+01 -0.652872D+00 -0.109042D+02 -0.174810D+01
                21            22            23            24            25 
      1  -0.158633D+01  0.566679D+01 -0.223893D+01 -0.331325D+01  0.528494D+01
      2   0.326854D+01 -0.401660D+01 -0.226634D+01  0.123344D+01 -0.140516D+01
      3   0.297596D+01  0.779610D+01  0.130041D+01 -0.231055D+01  0.182368D+02
                26            27            28            29            30 
      1   0.180801D+01 -0.191864D+01  0.216146D+01  0.705029D+00 -0.334297D+01
      2   0.663407D+00 -0.192083D+01  0.253912D+00  0.224468D+01 -0.357679D+01
      3  -0.105149D+01 -0.465876D+01  0.285058D+02  0.711221D+00 -0.282466D+01
                31            32            33            34            35 
      1  -0.136858D+01  0.497904D+01 -0.844690D+01 -0.599515D+01 -0.146213D+01
      2   0.454646D+01 -0.329591D+00  0.242661D+01 -0.246416D+02  0.350445D+01
      3   0.864222D+01  0.527294D+01  0.837516D+00 -0.639964D+01 -0.193816D+01
                36            37            38            39            40 
      1  -0.329268D+01 -0.320923D+01 -0.395608D+00 -0.140323D+01 -0.484168D+01
      2  -0.312622D+00 -0.123999D+01 -0.249125D+01  0.825554D+01 -0.310514D+01
      3   0.285688D+01 -0.145152D+02  0.130253D+00  0.269399D+01  0.151833D+02
                41            42            43            44            45 
      1   0.129681D+01  0.818293D+00 -0.209378D+01  0.388951D+01  0.302214D+01
      2   0.169787D+01 -0.239001D+01 -0.678961D+01 -0.934017D+00  0.195222D+01
      3  -0.675427D+00  0.203989D+01 -0.104571D+02  0.377207D+01  0.129145D+01
                46            47            48            49            50 
      1   0.277603D+01  0.136971D+01  0.319380D+01  0.927351D+01  0.130107D+01
      2  -0.108876D+01 -0.207375D+01  0.304403D+01 -0.385936D+01 -0.174878D+01
      3   0.147530D+02 -0.204972D+01 -0.799208D+00  0.129979D+02  0.204651D+01
                51            52            53            54            55 
      1  -0.259524D+01  0.231070D+01  0.362300D+01  0.195202D+00  0.195257D+01
      2   0.910371D+00 -0.391410D+01  0.838336D+00 -0.504533D-01 -0.711302D+01
      3  -0.505632D+01 -0.134941D+02 -0.183800D+01 -0.134735D+01  0.237610D+02
                56            57            58            59            60 
      1   0.177451D+01 -0.800870D-01  0.402701D+01 -0.303699D+01  0.255522D+01
      2  -0.609894D+00 -0.316822D+01 -0.408565D+01 -0.121371D+02  0.748672D+01
      3   0.131728D+02  0.625780D-01  0.393048D+02  0.885860D+01  0.823246D+01
                61            62            63            64            65 
      1  -0.483020D+00  0.791968D+01  0.434636D+01 -0.201631D+01 -0.119654D+00
      2  -0.196560D+02  0.902877D+01  0.158841D+02  0.122160D+02 -0.451111D+00
      3   0.390318D+01  0.110242D+02 -0.509159D+01 -0.284974D+02 -0.171649D+02
                66            67            68            69            70 
      1  -0.775922D+00 -0.326563D+01 -0.229910D+01 -0.263444D+01  0.263117D+01
      2   0.663372D+01  0.426564D+01  0.160327D+02 -0.121622D+02 -0.136858D+01
      3   0.202219D+01 -0.263163D+02 -0.676850D+01 -0.138975D+02 -0.581420D+01
                71            72            73            74            75 
      1   0.493729D+01  0.204880D+01 -0.199172D+01 -0.613709D+01  0.668313D+00
      2  -0.100919D+02 -0.188422D+02 -0.181831D+02  0.542198D+01  0.334746D+01
      3  -0.151004D+02  0.807592D+01  0.173421D+02  0.946556D+01 -0.258046D+01
                76            77            78            79            80 
      1  -0.877858D+01  0.197274D+01 -0.136341D+02  0.563064D+00 -0.673089D+01
      2   0.667208D+01 -0.106485D+02  0.118077D+02  0.359892D+01  0.976239D+01
      3   0.174284D+02  0.682116D+00  0.167133D+02 -0.287514D+01  0.124725D+02
                81            82            83            84            85 
      1   0.258648D+01  0.651268D+01  0.411214D+01  0.139596D+01  0.595159D+01
      2   0.136809D+02 -0.564249D+00 -0.372886D+01 -0.260386D+01 -0.724626D+01
      3  -0.958295D+01  0.247479D+02  0.442185D+01 -0.277776D+01  0.766832D+01
                86            87            88            89            90 
      1   0.899412D+01 -0.452479D+01  0.312541D+01  0.305966D+01 -0.156879D+02
      2  -0.146303D+02  0.113284D+02 -0.599514D+01  0.686237D+01  0.207157D+02
      3   0.375477D+00  0.105711D+02  0.492810D+00  0.118611D+02 -0.720146D+01
                91            92            93            94            95 
      1   0.657719D+00  0.418051D+00  0.203882D+01  0.203595D+01 -0.190888D+01
      2  -0.422023D+01 -0.369870D+01 -0.605754D+00 -0.413348D+01 -0.273494D+01
      3  -0.143096D+01  0.297452D+00  0.312603D+01  0.307988D+02 -0.164632D+02
                96            97            98            99           100 
      1  -0.328262D+01  0.259912D+01  0.492999D+01 -0.105834D+01 -0.876628D+00
      2  -0.690522D+01 -0.154185D+02 -0.660715D+01  0.143326D+02  0.154442D+01
      3  -0.135718D+01  0.206685D+01  0.439668D+01  0.503713D+01  0.114168D+02
               101           102           103           104           105 
      1  -0.541640D+01 -0.503052D+01 -0.168958D+00  0.599200D-01  0.270387D+01
      2   0.379617D+01  0.526193D+01  0.221911D+01  0.122555D+01  0.129072D+02
      3  -0.136535D+02 -0.522615D+01 -0.705900D+01  0.386456D+01  0.283748D+01
               106           107           108           109           110 
      1  -0.679470D+01  0.885585D+00 -0.383989D+01  0.422450D+01  0.273557D+01
      2  -0.375808D+01  0.103362D+02 -0.162346D+02  0.894738D+01 -0.275206D+01
      3  -0.990774D+01  0.127144D+02 -0.675717D+01 -0.592017D+00 -0.439592D+01
               111           112           113           114           115 
      1   0.397082D+01 -0.637346D+00  0.409900D+00 -0.697983D+01  0.416602D+01
      2   0.840501D+01 -0.815818D+00  0.745026D+01 -0.105163D+02  0.417277D+01
      3   0.689273D+00 -0.407406D+01  0.119279D+02 -0.759324D+01  0.106026D+02
               116           117           118           119           120 
      1   0.455243D+01  0.115180D+02 -0.358471D+01  0.267811D+01  0.513856D-01
      2  -0.678911D+01  0.288448D+02 -0.549946D+01 -0.106270D+01 -0.100171D+00
      3  -0.184633D+02  0.587914D+01 -0.706170D+00  0.631893D+01  0.420924D+01
               121           122           123           124           125 
      1   0.108036D+01 -0.586830D+01 -0.287007D+01 -0.192817D+01  0.694661D+01
      2  -0.230255D+01 -0.411607D+01 -0.187130D+01 -0.194515D+01 -0.760377D+01
      3   0.751655D+01 -0.151958D+02  0.260668D+01 -0.153200D+01  0.862065D+01
               126           127           128           129           130 
      1  -0.709036D+01 -0.221856D+01 -0.198094D+01  0.109355D+01 -0.493374D+00
      2  -0.148742D+02  0.445643D+01  0.115432D+01 -0.104867D+01  0.427349D+00
      3   0.836895D+01 -0.424946D+00 -0.871454D+00  0.831916D+00  0.985698D+00
               131           132           133           134           135 
      1  -0.128642D+01 -0.161719D+00  0.319575D+01  0.544486D+01 -0.529484D+01
      2   0.373866D-01  0.516000D+00 -0.502984D+01 -0.563350D+00 -0.198309D+01
      3  -0.333268D+00  0.289888D+00  0.104271D+01  0.217507D+01 -0.167538D+01
               136           137           138           139           140 
      1  -0.218100D+01  0.299572D+01 -0.816441D+00  0.116711D+01 -0.137680D+01
      2  -0.781651D+01  0.157511D+01 -0.960575D+00  0.196127D+01 -0.655268D+00
      3   0.558976D+00 -0.162529D+01  0.822134D+00  0.611280D+00  0.119616D+01
               141           142           143           144           145 
      1  -0.503985D+00 -0.215017D+01  0.414410D+01 -0.269374D+01  0.193024D+01
      2   0.177912D+00 -0.471448D+01  0.770388D+00  0.542911D+00  0.406175D+01
      3  -0.468636D+00  0.688420D+00 -0.257004D+01  0.172563D+01  0.291147D+01
               146           147           148           149           150 
      1  -0.848465D+00 -0.252173D+01  0.899250D+00  0.114332D+00 -0.375031D+01
      2   0.434384D+00 -0.983821D+00  0.336977D+00 -0.627501D-01  0.650790D+00
      3   0.220243D-02 -0.223212D+01  0.168110D+01 -0.269998D+00 -0.607854D+00
               151           152           153           154           155 
      1  -0.180482D+01  0.217360D+01  0.581656D+01  0.284636D+01  0.125739D+01
      2  -0.467507D+01 -0.410588D+00 -0.768962D+00 -0.468410D+01  0.565635D-01
      3  -0.256156D+01  0.621815D+00  0.231967D+01 -0.551799D+01 -0.981083D+00
               156           157           158           159           160 
      1   0.265285D+01 -0.173484D+01  0.290778D+00 -0.372736D+01  0.279019D+01
      2  -0.184966D+00  0.140993D+01  0.128135D+00 -0.120304D+01 -0.258547D+01
      3  -0.248912D+01  0.407122D+01  0.575492D+00  0.900478D+00 -0.305232D+01
               161           162           163           164           165 
      1   0.116646D+01  0.467782D+01 -0.127202D+01 -0.577656D+00  0.132184D+01
      2  -0.433615D+00  0.202996D+01 -0.556157D+01  0.730263D+00  0.519654D+01
      3  -0.142754D+01 -0.176311D+01 -0.120436D+01 -0.387673D+01  0.689780D+00
               166           167           168           169           170 
      1  -0.322865D+00 -0.154853D+00 -0.201654D+01  0.271316D+01  0.113000D+01
      2   0.162793D+01 -0.298971D+01 -0.438325D+01  0.477100D+01 -0.863289D+01
      3  -0.472324D+01  0.200637D+01  0.286824D+01  0.345800D+01  0.563704D+01
               171           172           173           174           175 
      1  -0.707701D+01  0.180285D+01 -0.138540D+01  0.173010D+01 -0.242477D+01
      2  -0.220895D+02  0.633496D+01 -0.241806D+01  0.467733D+01 -0.286967D+01
      3   0.408535D+01  0.230025D+01 -0.722821D+01  0.133289D+00 -0.505019D+01
               176           177           178           179           180 
      1   0.411459D+01 -0.465388D+01  0.164283D+01 -0.213037D+01  0.281126D+01
      2   0.715635D+01 -0.529167D+01  0.400125D+01 -0.629010D+01  0.385745D+01
      3   0.151201D+02 -0.374726D+01 -0.286790D+01 -0.881882D+01  0.359143D+01
               181           182           183           184           185 
      1   0.266158D+00 -0.610806D+00 -0.183183D+00  0.830568D-01  0.498939D+00
      2  -0.365397D+01  0.608642D+00  0.932693D+01 -0.412789D+00 -0.312287D+01
      3   0.565913D+01 -0.864239D+01 -0.921981D+00 -0.191999D+01  0.449308D+01
               186           187           188           189           190 
      1  -0.100011D+01 -0.428179D+00  0.109652D+01 -0.177691D+00  0.335914D+01
      2  -0.148138D+00  0.584609D+01  0.432595D+00 -0.720512D+00  0.238742D+01
      3   0.332915D+01  0.581323D+00  0.413919D+01 -0.642809D+00 -0.894468D+01
               191           192           193           194           195 
      1   0.505556D+01 -0.524311D+00  0.538322D+01  0.713412D+01  0.114849D+00
      2   0.447784D+00  0.626450D+01  0.333417D-01  0.482660D+01  0.716050D+01
      3  -0.115507D+02 -0.370030D+01 -0.102172D+02 -0.185547D+02 -0.916694D+01
               196           197           198           199           200 
      1   0.105770D+01  0.291411D+01  0.629427D+00 -0.232550D+01  0.323323D+01
      2   0.231113D+01  0.285612D+01  0.338189D+01  0.522820D+01 -0.149443D+01
      3  -0.181260D+01 -0.528501D+01 -0.380319D+01  0.256918D+01 -0.610870D+01
               201           202           203           204           205 
      1  -0.182764D+01  0.279963D+01 -0.980241D+01  0.503434D+01 -0.209540D+01
      2   0.477884D+01 -0.124643D+01  0.895504D+01 -0.136758D+02  0.101264D+01
      3   0.321833D+01 -0.338808D+01  0.149751D+02 -0.102422D+02  0.247632D+01
               206           207           208           209           210 
      1   0.767462D+01 -0.540706D+01 -0.171784D+01 -0.263634D+01  0.131212D+01
      2  -0.758725D+01  0.128633D+02  0.201977D+02 -0.342385D+01 -0.811143D+01
      3  -0.882991D+01  0.842220D+01 -0.881262D+01  0.358381D+01  0.393738D+01
               211           212           213           214           215 
      1  -0.141427D+01  0.237508D+00 -0.434782D-01  0.851496D+00  0.202692D+01
      2  -0.271969D+01  0.488639D+01  0.214255D+01 -0.819473D+01  0.103202D+01
      3   0.471506D+01 -0.274462D+01 -0.334219D+01  0.252223D+01 -0.196529D+01
               216           217           218           219           220 
      1  -0.355594D+00 -0.178048D+01  0.148622D+01  0.279206D+01 -0.174851D+00
      2   0.503974D+01 -0.665397D+01  0.238793D+01 -0.124780D+01  0.317461D+01
      3  -0.134074D+01 -0.217742D+02  0.690487D+01  0.353611D+00  0.612693D+01
               221           222           223           224           225 
      1  -0.234967D+01 -0.998619D+00  0.185549D+01  0.560267D+00  0.433762D-01
      2   0.174058D-01 -0.470206D+00 -0.302665D+01 -0.245783D+00 -0.172327D+01
      3  -0.687857D+01 -0.663470D+00  0.191190D+01 -0.277348D+01 -0.158362D+01
               226           227           228           229           230 
      1   0.119946D+01 -0.624400D+00 -0.129466D+01 -0.285715D+00  0.171367D+01
      2  -0.421492D+01 -0.158403D+00  0.286013D+01 -0.383054D+00 -0.183531D+01
      3  -0.243309D+01 -0.229786D+01 -0.880218D+00 -0.246956D+00  0.118196D+01
               231           232           233           234           235 
      1   0.191360D+01 -0.139975D+01  0.473118D+01  0.158034D+02 -0.419724D+01
      2  -0.465581D+01 -0.826810D+00  0.100050D+01 -0.309666D+02  0.359152D+01
      3   0.183534D+01 -0.123764D+01  0.478764D+01 -0.173546D+01 -0.690638D+01
               236           237           238           239           240 
      1  -0.448766D+01 -0.320186D+01 -0.546660D+01 -0.839890D+01 -0.405145D+01
      2   0.261150D+01  0.542117D+01  0.359254D+01  0.412946D+01  0.378561D+01
      3  -0.113172D+02  0.118179D+01 -0.634164D+01 -0.210160D+02  0.606946D-01
               241           242           243           244           245 
      1  -0.227630D+01 -0.177373D+01 -0.904757D+00  0.202701D+00 -0.365321D+00
      2   0.336935D+01  0.288520D+01  0.305889D+00 -0.545275D+01  0.143990D+00
      3  -0.812532D+00 -0.541727D+01 -0.131437D+01 -0.284943D+01 -0.168483D+01
               246           247           248           249           250 
      1  -0.800172D+00 -0.647470D-01  0.452493D-01 -0.888097D+00 -0.121612D+01
      2   0.370675D+01  0.411685D+00 -0.264377D+01  0.415664D+01  0.103987D+01
      3  -0.498736D+00 -0.543646D+00 -0.108474D+01  0.276105D+01 -0.123191D+01
               251           252           253           254           255 
      1   0.279989D+01  0.304020D+01 -0.226001D+01  0.912536D+00 -0.223004D+01
      2   0.356732D+01 -0.181595D+02  0.154685D+02  0.377020D+01  0.643281D+01
      3   0.382057D+01 -0.207448D+01 -0.166577D+02 -0.147353D+02 -0.419110D-01
               256           257           258           259           260 
      1  -0.151775D+01 -0.604127D+01 -0.373904D+01 -0.750871D+00  0.961910D+00
      2   0.483394D+01  0.475795D+01  0.630705D+01  0.447382D+01  0.545289D+01
      3  -0.609004D+01  0.209187D+02 -0.353454D+01  0.140895D+01 -0.620405D+01
               261           262           263           264           265 
      1   0.858478D+01  0.912417D+00 -0.136558D+01  0.612947D+00 -0.264383D+01
      2  -0.180458D+02 -0.662545D+00  0.283923D+00  0.103268D+01 -0.122634D-01
      3  -0.475370D+01  0.291938D+01 -0.419801D+01 -0.168641D+01 -0.388380D+01
               266           267           268           269           270 
      1   0.935502D+01 -0.202675D+01  0.429007D+00 -0.105956D+01  0.106027D+01
      2  -0.377709D+01 -0.517861D+01  0.248733D+00 -0.165259D+01 -0.935945D+00
      3   0.284557D+02  0.576026D+01  0.130342D+01 -0.473558D+01  0.155404D+01
               271           272           273           274           275 
      1   0.120878D+01  0.563755D+00 -0.220731D+01  0.781174D+00  0.625089D+00
      2  -0.818540D+01 -0.199990D+00  0.812237D+01 -0.628621D+00 -0.135762D+01
      3   0.152598D+02 -0.618353D+01 -0.116366D+01 -0.360574D+01 -0.488336D+00
               276           277           278           279           280 
      1  -0.163584D+00 -0.194613D+01  0.642802D+00 -0.375357D-01  0.132698D+01
      2  -0.685812D+00  0.434644D+01 -0.191761D+00 -0.391241D+00 -0.109569D+01
      3   0.860606D+00 -0.172419D+01  0.195483D+01  0.180076D+01 -0.451783D+01
               281           282           283           284           285 
      1  -0.752564D+00  0.156336D+01 -0.353239D+00  0.503535D+01 -0.420047D+01
      2  -0.964100D+00 -0.123833D+01 -0.810682D+00  0.664461D-01  0.314063D+01
      3   0.785282D+01 -0.145522D+00  0.504608D+01 -0.302446D+02  0.473403D+00
               286           287           288           289           290 
      1   0.602631D+00 -0.952093D+00  0.408919D+00 -0.169288D+01 -0.563634D+00
      2  -0.153764D+01  0.236516D+01  0.522521D+00  0.415485D+01  0.371465D-02
      3  -0.115498D+01  0.390327D+01 -0.260924D+01  0.154977D+01  0.844933D+00
               291           292           293           294           295 
      1   0.441340D+00 -0.186986D+00 -0.214528D+01  0.993030D+00 -0.172410D+00
      2  -0.189264D+01  0.144207D+01  0.193299D+01 -0.330900D+01 -0.210338D+01
      3   0.108991D+01  0.799390D+00  0.531602D+00 -0.165822D+01  0.150499D+01
               296           297 
      1   0.358914D+01 -0.109893D+02
      2  -0.140039D+00  0.245382D+02
      3  -0.454363D+01  0.100752D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.821385D+00 -0.855254D+01  0.203957D+02  0.128891D+02 -0.190347D+01
      2   0.779954D+01  0.341175D+01 -0.757903D+01 -0.382897D+01  0.267280D+01
      3  -0.697815D+01  0.514079D+01 -0.128167D+02 -0.906017D+01 -0.769330D+00
      4  -0.151157D+01  0.185836D+01 -0.960298D+00  0.817061D+01  0.510763D+01
      5   0.213744D+02  0.164644D+00 -0.795571D+01 -0.942360D+01 -0.339409D+01
      6  -0.511205D+00 -0.329887D+01  0.106674D+01 -0.852789D+00  0.393774D+01
                 6             7             8             9            10 
      1  -0.180758D+02 -0.222541D+02 -0.928905D+01  0.336368D+01  0.483066D+02
      2   0.251460D+01  0.428369D+01  0.197733D+01  0.404961D+01 -0.243431D+02
      3   0.155612D+02  0.179704D+02  0.731172D+01 -0.741330D+01 -0.239636D+02
      4  -0.414728D+01  0.440611D+01 -0.232294D+01 -0.449346D+01 -0.110809D+02
      5  -0.220245D+01  0.103115D+02 -0.383695D+01  0.546803D+01 -0.947365D+01
      6   0.126275D+02 -0.647126D+01  0.638074D+01  0.148260D+02  0.341806D+01
                11            12            13            14            15 
      1   0.810242D+01 -0.150924D+01  0.111723D+02 -0.382135D+01  0.594232D+01
      2  -0.810096D+01  0.379332D+01 -0.131879D+02  0.707648D+01 -0.130891D+01
      3  -0.145425D-02 -0.228408D+01  0.201559D+01 -0.325513D+01 -0.463341D+01
      4   0.744242D+00 -0.352381D+01  0.129133D+02 -0.956337D+01 -0.366190D+00
      5  -0.412197D+01  0.908020D+01  0.144452D+02  0.467662D+00 -0.377294D+01
      6   0.104113D+01 -0.718284D+01 -0.425945D+01  0.475457D+01  0.948889D+01
                16            17            18            19            20 
      1  -0.658157D+01  0.572252D+01 -0.186919D+02 -0.212483D+01  0.453113D+01
      2  -0.265386D+01  0.528439D+01  0.264978D+01 -0.280048D+01 -0.177185D+01
      3   0.923543D+01 -0.110069D+02  0.160421D+02  0.492531D+01 -0.275928D+01
      4   0.151509D+02  0.567734D+00 -0.384795D+01  0.329446D+01 -0.323903D-01
      5  -0.147589D+02 -0.354638D+01 -0.353544D+01 -0.176898D+02  0.293873D+01
      6  -0.560469D+01  0.160376D+01 -0.404372D+01  0.364804D+01  0.528262D+01
                21            22            23            24            25 
      1  -0.245091D+02 -0.995311D+01 -0.569275D+01 -0.494982D+01  0.224003D+02
      2   0.634963D+01 -0.156813D+01  0.619437D+01 -0.319286D+00 -0.599783D-01
      3   0.181594D+02  0.115212D+02 -0.501625D+00  0.526910D+01 -0.223403D+02
      4   0.327525D+01  0.313515D+01 -0.114576D+01  0.321945D+01  0.435004D+01
      5  -0.748603D+00  0.147406D+01  0.122271D+01  0.680661D+01  0.137570D+02
      6   0.604613D+01  0.287444D+01  0.217034D+01  0.774943D+01  0.103747D+02
                26            27            28            29            30 
      1  -0.838852D+01  0.656853D+01  0.167179D+02 -0.161902D+01  0.169900D+01
      2   0.119184D+01 -0.271663D+01 -0.238547D+01  0.600345D+01  0.610001D+00
      3   0.719668D+01 -0.385190D+01 -0.143325D+02 -0.438443D+01 -0.230900D+01
      4   0.315825D+01  0.656854D+01  0.248827D+02  0.159418D+01 -0.213259D+01
      5   0.507702D+01 -0.534301D+01  0.448933D+01 -0.162463D+01  0.638818D+01
      6   0.204555D+01  0.103913D+02  0.339638D+01 -0.127831D+01  0.477506D+01
                31            32            33            34            35 
      1  -0.383188D+00 -0.162146D+01  0.667333D+01 -0.695517D+01  0.916417D+01
      2   0.630431D+01  0.476440D+01 -0.207894D+01  0.123885D+01  0.316395D+01
      3  -0.592112D+01 -0.314293D+01 -0.459439D+01  0.571632D+01 -0.123281D+02
      4   0.134964D+02  0.448514D+00  0.191501D+01  0.112949D+02  0.545065D+01
      5   0.114026D+02  0.940840D+00  0.820658D+00 -0.176472D+02  0.204833D+01
      6  -0.700586D+00  0.390803D+01  0.582960D+01 -0.149040D+01  0.113741D+01
                36            37            38            39            40 
      1  -0.170711D+02  0.589259D+01 -0.139240D+02  0.211756D+02  0.417781D+01
      2   0.288428D+01  0.877220D+00  0.135299D+02 -0.125616D+02  0.432381D+01
      3   0.141868D+02 -0.676981D+01  0.394061D+00 -0.861401D+01 -0.850162D+01
      4   0.648328D+00 -0.101157D+02 -0.143173D+01  0.359215D+01  0.155173D+02
      5  -0.896561D+00  0.107155D+02  0.244291D+01 -0.109370D+02 -0.283322D+01
      6  -0.733587D+01 -0.824606D+00 -0.609088D+01  0.660558D+01 -0.219569D+00
                41            42            43            44            45 
      1  -0.105339D+02 -0.657438D+01 -0.179937D+02 -0.415533D+01  0.694019D+01
      2   0.172291D+02 -0.105279D+02  0.125753D+01 -0.373800D+01 -0.890444D+00
      3  -0.669521D+01  0.171023D+02  0.167362D+02  0.789333D+01 -0.604975D+01
      4   0.643439D+01 -0.257094D+01 -0.392035D+01 -0.217132D+01 -0.604524D+01
      5  -0.144152D+01 -0.115111D+01  0.649278D+01 -0.530636D+01  0.836921D+01
      6  -0.685617D+01  0.518335D+01 -0.944217D+01  0.123890D+01  0.849775D+01
                46            47            48            49            50 
      1  -0.558936D+01  0.111820D+02 -0.236119D+02 -0.254179D+01 -0.144805D+02
      2   0.163550D+01 -0.908633D+01  0.733795D+01 -0.655394D+01  0.240098D+02
      3   0.395385D+01 -0.209565D+01  0.162739D+02  0.909572D+01 -0.952936D+01
      4   0.115613D+02  0.157693D-01  0.511973D+01  0.871263D+01 -0.667629D+01
      5  -0.105989D+02  0.540318D+01 -0.108331D+01  0.935431D+01  0.236822D+01
      6   0.405809D+01  0.474447D+01 -0.534033D+01 -0.181429D+01 -0.603886D+01
                51            52            53            54            55 
      1   0.612933D+01  0.350752D+02 -0.291726D+01  0.102833D+02 -0.280805D+02
      2  -0.117838D+02 -0.105809D+02 -0.118587D+01 -0.649947D+01  0.131788D+02
      3   0.565446D+01 -0.244942D+02  0.410313D+01 -0.378387D+01  0.149018D+02
      4   0.107924D+01 -0.456486D+01  0.244893D+00  0.714484D+01 -0.839187D+01
      5   0.727772D+01  0.517757D+01  0.659038D+01 -0.427224D+01 -0.523987D+01
      6   0.383039D+01  0.110780D+02 -0.289660D+01  0.666572D+01  0.126439D+01
                56            57            58            59            60 
      1  -0.106732D+02 -0.581712D+01 -0.346863D+02 -0.250986D+02  0.147471D+01
      2   0.750681D+01  0.573496D+00  0.250537D+02  0.591350D+01  0.616400D+01
      3   0.316641D+01  0.524362D+01  0.963269D+01  0.191851D+02 -0.763871D+01
      4  -0.281347D+02  0.103535D+01 -0.467840D+02  0.132834D+02 -0.155987D+02
      5   0.668734D+00 -0.125267D+02 -0.499491D+00 -0.150111D+02  0.133925D+02
      6   0.357047D+00  0.113882D+01  0.200606D+00  0.409494D+01 -0.482122D+01
                61            62            63            64            65 
      1  -0.161723D+02  0.726785D+00 -0.182262D+01 -0.837149D+02  0.303682D+02
      2  -0.165776D+01  0.785516D+01  0.715842D+01  0.456739D+02 -0.136154D+02
      3   0.178300D+02 -0.858195D+01 -0.533580D+01  0.380410D+02 -0.167529D+02
      4  -0.525461D+00 -0.208081D+02  0.252011D+02  0.299872D+02  0.259561D+02
      5  -0.232716D+02  0.219648D+02  0.367035D+02  0.256884D+02 -0.324291D+01
      6   0.110150D+02 -0.484529D+01 -0.113980D+02  0.820790D+00 -0.335952D+01
                66            67            68            69            70 
      1   0.255046D+02  0.616034D+02  0.255722D+02 -0.830621D+01  0.361713D+02
      2  -0.144229D+02 -0.287641D+02 -0.130534D+02  0.869589D+01 -0.145859D+02
      3  -0.110816D+02 -0.328393D+02 -0.125188D+02 -0.389686D+00 -0.215854D+02
      4  -0.192463D+01  0.302615D+02  0.677149D+01  0.246903D+02  0.290948D+01
      5   0.753386D+01 -0.231004D+01  0.259616D+02 -0.218511D+02 -0.179031D+01
      6   0.175872D+01  0.191826D+01  0.723569D+01 -0.504811D+01 -0.304494D+01
                71            72            73            74            75 
      1  -0.406738D+01  0.276414D+01  0.367560D+02 -0.237959D+02 -0.203440D+02
      2   0.835943D+01 -0.259571D+00 -0.191443D+02  0.560369D+01  0.108303D+02
      3  -0.429205D+01 -0.250456D+01 -0.176117D+02  0.181922D+02  0.951374D+01
      4   0.232948D+02 -0.169949D+02 -0.224297D+02 -0.317514D+02 -0.547238D+01
      5  -0.175466D+02 -0.354036D+02 -0.120043D+02 -0.761352D+01 -0.173490D+02
      6  -0.594162D+01 -0.539944D+01 -0.147711D+02 -0.894817D+01 -0.244084D+00
                76            77            78            79            80 
      1  -0.308500D+02 -0.280871D+02 -0.137883D+01 -0.225581D+02  0.127321D+01
      2   0.737217D+01  0.188557D+02 -0.115384D+02  0.107401D+02 -0.113609D+02
      3   0.234778D+02  0.923144D+01  0.129172D+02  0.118180D+02  0.100877D+02
      4  -0.410353D+02 -0.971975D+01 -0.373874D+02 -0.182768D+01 -0.265120D+02
      5  -0.864983D+01 -0.438491D+02  0.222154D+02 -0.983620D+01  0.193969D+02
      6  -0.147736D+02 -0.508526D+01 -0.102093D+02  0.205993D+01 -0.864980D+01
                81            82            83            84            85 
      1  -0.105244D+02  0.351526D+02 -0.220728D+02 -0.131749D+02 -0.315355D+02
      2  -0.134342D+01 -0.354986D+02  0.712332D-01  0.681848D+01  0.172042D+01
      3   0.118678D+02  0.346055D+00  0.220015D+02  0.635643D+01  0.298151D+02
      4   0.169486D+02 -0.191811D+02 -0.397290D+02 -0.638342D+00 -0.415558D+02
      5   0.171077D+02 -0.155711D+02  0.618690D+01 -0.434730D+01  0.461671D+01
      6   0.132622D+02  0.545854D+00  0.454894D+01 -0.288093D+01  0.310121D+01
                86            87            88            89            90 
      1  -0.291878D+02  0.931756D+01 -0.152370D+02  0.278961D+01  0.138916D+01
      2   0.213217D+01 -0.734137D+01  0.198519D+01 -0.782148D+01  0.227080D+02
      3   0.270557D+02 -0.197619D+01  0.132518D+02  0.503186D+01 -0.240971D+02
      4  -0.299771D+02 -0.159644D+02 -0.109403D+02 -0.234020D+02  0.102627D+02
      5  -0.137766D+02  0.211186D+02 -0.275835D+01  0.133071D+02  0.484193D+02
      6  -0.750770D+01  0.111030D+02 -0.119707D+01  0.102997D+02  0.110251D+02
                91            92            93            94            95 
      1   0.100685D+02 -0.518982D+01 -0.224057D+01 -0.140765D+02 -0.155941D+02
      2  -0.853154D+01 -0.161974D+01 -0.558831D+00  0.732965D+01  0.584356D+01
      3  -0.153696D+01  0.680956D+01  0.279940D+01  0.674686D+01  0.975054D+01
      4  -0.215416D+02 -0.157670D+02 -0.822992D+01 -0.383160D+02  0.161136D+02
      5  -0.856912D+01 -0.738215D+01 -0.909372D+01 -0.134667D+02 -0.217656D+01
      6  -0.500184D+01 -0.244845D+01 -0.441763D+01 -0.254560D+01 -0.539546D+01
                96            97            98            99           100 
      1  -0.695282D+01 -0.175614D+02 -0.922851D+01 -0.215237D+01 -0.392483D+01
      2   0.400395D+00  0.955971D+00 -0.136502D+01  0.780375D+01 -0.122735D+00
      3   0.655243D+01  0.166054D+02  0.105935D+02 -0.565138D+01  0.404757D+01
      4  -0.182502D+01 -0.197299D+02 -0.138392D+02 -0.160243D+02  0.130317D+02
      5  -0.136802D+02 -0.152575D+02 -0.150296D+02  0.285791D+02 -0.159677D+02
      6  -0.290126D+01 -0.790967D+01 -0.262084D+01  0.825702D+01  0.567255D+01
               101           102           103           104           105 
      1   0.583293D+01 -0.757190D+01  0.193372D+02  0.262992D+01  0.952781D+01
      2  -0.128229D-01  0.518507D+01 -0.140214D+02  0.328720D+01 -0.264310D+01
      3  -0.582011D+01  0.238683D+01 -0.531580D+01 -0.591711D+01 -0.688471D+01
      4  -0.219991D+01  0.770101D+01 -0.263271D+01 -0.164769D+02 -0.371551D+01
      5   0.685030D+01 -0.224922D+01  0.778522D+01 -0.335664D+01  0.239608D+02
      6  -0.582303D+01  0.569135D+01 -0.178222D+01 -0.106093D+01 -0.157829D+02
               106           107           108           109           110 
      1  -0.231639D+02  0.102959D+02 -0.423801D+01  0.417455D+02 -0.129467D+02
      2   0.802695D+01  0.390175D+01  0.204796D+01 -0.193545D+02  0.373914D+01
      3   0.151370D+02 -0.141976D+02  0.219005D+01 -0.223910D+02  0.920752D+01
      4   0.211263D+02 -0.185606D+02  0.218922D+02 -0.251417D+02  0.205428D+02
      5  -0.185783D+02  0.196957D+02 -0.219423D+02  0.300620D+02 -0.668033D+01
      6   0.113898D+02 -0.181774D+02  0.567966D+01 -0.115644D+02  0.424271D+01
               111           112           113           114           115 
      1   0.231725D+02 -0.157506D+02  0.319506D+01 -0.168643D+01  0.381524D+02
      2  -0.134674D+02  0.243692D+01  0.868695D+01 -0.157121D+01 -0.181845D+02
      3  -0.970511D+01  0.133137D+02 -0.118820D+02  0.325764D+01 -0.199679D+02
      4  -0.107635D+02  0.253376D+02 -0.237695D+02  0.177776D+02 -0.245973D+02
      5   0.214364D+02 -0.122827D+02  0.170217D+02 -0.197431D+02  0.339831D+02
      6  -0.763364D+01  0.624851D+01 -0.120595D+02  0.180321D+02 -0.116082D+02
               116           117           118           119           120 
      1  -0.332694D+01  0.987109D+01 -0.968699D+00 -0.945587D+01 -0.121443D+02
      2  -0.510528D+01 -0.132636D+02 -0.259939D+01  0.118245D+02  0.762828D+01
      3   0.843222D+01  0.339254D+01  0.356809D+01 -0.236868D+01  0.451601D+01
      4   0.320072D+02 -0.194648D+02  0.121900D+01 -0.571505D+01  0.334823D+01
      5  -0.177189D+02  0.557907D+02 -0.753012D+01 -0.123041D+01  0.561829D+01
      6   0.168621D+02 -0.276755D+02  0.371784D+01  0.538002D+01  0.136630D+01
               121           122           123           124           125 
      1  -0.475010D+01 -0.324162D+01 -0.518689D+01 -0.117370D+02 -0.860550D+01
      2   0.129257D+02 -0.186123D+02  0.153178D+01  0.644581D+01  0.765666D+01
      3  -0.817560D+01  0.218539D+02  0.365511D+01  0.529124D+01  0.948832D+00
      4  -0.886902D+01  0.423359D+02 -0.228562D+01  0.120370D+02 -0.163113D+02
      5   0.158548D+01 -0.158114D+01 -0.452017D+01  0.160363D+02 -0.168273D+02
      6   0.307342D+01  0.723894D+00  0.103315D+02 -0.590350D+01  0.202508D+02
               126           127           128           129           130 
      1  -0.103454D+02 -0.592361D-01  0.546765D+00  0.286917D+01 -0.218730D+01
      2  -0.629103D+01 -0.530980D+01 -0.147052D+01  0.563525D+01 -0.518601D+00
      3   0.166365D+02  0.536904D+01  0.923757D+00 -0.850442D+01  0.270590D+01
      4  -0.149436D+02  0.142264D+01  0.250928D+01 -0.623283D+00  0.139647D+01
      5  -0.323608D+02 -0.892769D+01 -0.229985D+01  0.114355D+02 -0.223306D+01
      6   0.232891D+02  0.507521D+00 -0.147271D+01 -0.130582D+01 -0.123955D+01
               131           132           133           134           135 
      1  -0.291834D+01  0.708778D+01  0.343920D+01  0.392085D+01 -0.221275D+02
      2  -0.536301D+00  0.313455D+01  0.713218D+01  0.231239D+01 -0.157226D+02
      3   0.345464D+01 -0.102223D+02 -0.105714D+02 -0.623324D+01  0.378501D+02
      4   0.103742D+01 -0.145667D+01 -0.212994D+01 -0.346536D+01  0.236327D+01
      5  -0.252279D+01  0.351284D+01  0.123380D+02  0.409086D+01 -0.196924D+02
      6  -0.256647D+01  0.160335D+01  0.458755D+00  0.522990D+01 -0.123752D+01
               136           137           138           139           140 
      1   0.325191D+01  0.338240D+00 -0.192118D+01  0.771570D+00 -0.183191D+01
      2  -0.546268D+01  0.903021D+00 -0.417030D+01  0.204886D+01 -0.268585D+00
      3   0.221076D+01 -0.124126D+01  0.609148D+01 -0.282043D+01  0.210050D+01
      4  -0.175076D+01  0.363963D+01 -0.992529D+00  0.242014D+01 -0.284128D+01
      5   0.105645D+02 -0.291050D+01  0.956543D+01 -0.449552D+01  0.330261D+01
      6  -0.401070D+00  0.170674D+01 -0.106527D+01  0.745274D+00 -0.283592D+01
               141           142           143           144           145 
      1   0.492805D+01 -0.290636D+01  0.401519D+01 -0.120853D+02 -0.286538D+01
      2   0.253777D+01 -0.552353D+01  0.118502D+01 -0.835754D+01 -0.266606D+01
      3  -0.746582D+01  0.842990D+01 -0.520022D+01  0.204428D+02  0.553144D+01
      4   0.118375D+01 -0.204584D+01  0.298840D+01 -0.210390D+01  0.514752D+01
      5  -0.593796D+01  0.119813D+02 -0.435550D+01  0.147784D+02 -0.868841D+01
      6   0.212069D+01 -0.196851D+01  0.487881D+01 -0.359143D+01 -0.581793D+01
               146           147           148           149           150 
      1  -0.168932D+01  0.565001D+01 -0.235822D+01 -0.459839D+01  0.871441D+01
      2   0.182490D+00  0.296081D+01 -0.473414D+00  0.102624D+01  0.581298D+00
      3   0.150683D+01 -0.861082D+01  0.283164D+01  0.357214D+01 -0.929571D+01
      4   0.368954D+01 -0.541628D+01  0.206707D+01  0.173648D+01 -0.268805D+01
      5  -0.330487D+01  0.114274D+02 -0.294466D+01 -0.234343D+01  0.353385D+01
      6  -0.345361D+01  0.635897D+01 -0.277585D+01 -0.524200D+01  0.886061D+01
               151           152           153           154           155 
      1   0.735042D+01  0.109265D+02 -0.287863D+02  0.295022D+01  0.252520D+01
      2   0.191106D+01 -0.316239D+01 -0.526713D+01 -0.209463D+01 -0.308663D+01
      3  -0.926148D+01 -0.776409D+01  0.340534D+02 -0.855588D+00  0.561434D+00
      4  -0.597036D+01 -0.509256D+01  0.800965D+01 -0.106739D+02  0.818469D+01
      5   0.105087D+02  0.501195D+01 -0.164543D+02  0.153580D+02 -0.580690D+01
      6   0.858668D+01  0.131072D+02 -0.240146D+02 -0.858979D+01  0.618453D+01
               156           157           158           159           160 
      1  -0.128080D+01  0.898850D-01 -0.384713D+01  0.486732D+01 -0.377125D+01
      2  -0.130115D+01  0.500868D+00  0.226313D+01 -0.274945D+00 -0.138746D+01
      3   0.258194D+01 -0.590753D+00  0.158401D+01 -0.459238D+01  0.515871D+01
      4  -0.818276D+01  0.583053D+01 -0.620475D+01  0.627326D+01 -0.877297D+01
      5   0.134833D+02 -0.773594D+01  0.540364D+01 -0.877871D+01  0.147029D+02
      6  -0.859194D+01  0.591575D+01 -0.665811D+01  0.898877D+01 -0.103686D+02
               161           162           163           164           165 
      1   0.787532D+01 -0.133579D+02  0.848327D+01 -0.220800D+01 -0.800584D+01
      2  -0.455232D+01 -0.124514D+01 -0.735473D+01  0.655494D+00  0.602566D+01
      3  -0.332300D+01  0.146030D+02 -0.112854D+01  0.155250D+01  0.198018D+01
      4   0.781123D+01 -0.105059D+02 -0.542792D+01  0.959168D+01  0.627843D+01
      5  -0.781835D+01  0.192594D+02 -0.146788D+02  0.458610D+01  0.155232D+02
      6   0.120745D+02 -0.180500D+02  0.429439D+01 -0.175580D+01 -0.296222D+01
               166           167           168           169           170 
      1   0.441296D+01  0.926867D+00 -0.273023D+01 -0.153334D+02 -0.440309D+01
      2  -0.332882D+01  0.641427D+00  0.115457D+01  0.136588D+02  0.624936D+00
      3  -0.108414D+01 -0.156829D+01  0.157567D+01  0.167461D+01  0.377815D+01
      4   0.112036D+02 -0.911043D+01 -0.838595D+01  0.124333D+02 -0.143719D+02
      5   0.424593D+01 -0.848802D+01 -0.872339D+01  0.275363D+02 -0.182020D+02
      6  -0.304410D+01  0.601266D+01  0.916123D+01 -0.927774D+01  0.119236D+02
               171           172           173           174           175 
      1  -0.462173D+01  0.194844D+02 -0.970555D+01  0.595514D+01 -0.111963D+02
      2  -0.118262D+02 -0.376355D+01 -0.486718D+00 -0.161456D+01 -0.363726D+01
      3   0.164479D+02 -0.157208D+02  0.101923D+02 -0.434058D+01  0.148336D+02
      4  -0.214443D+02 -0.216973D+02  0.251110D+02 -0.526819D+01  0.323578D+02
      5  -0.492147D+02  0.803246D+01 -0.324156D+01  0.725722D+01 -0.422336D+01
      6   0.193069D+02 -0.256150D+01  0.154408D+00 -0.165901D+01  0.160386D+01
               176           177           178           179           180 
      1   0.356117D+01 -0.379667D+00  0.175924D+02 -0.619489D+00  0.218578D+01
      2   0.178104D+02 -0.415315D+01 -0.446869D+01 -0.686174D+01  0.226286D+00
      3  -0.213716D+02  0.453281D+01 -0.131238D+02  0.748123D+01 -0.241207D+01
      4  -0.455945D+02  0.110002D+02 -0.147360D+02  0.226517D+02 -0.130954D+02
      5   0.979844D+01 -0.840923D+01  0.957148D+01 -0.114036D+02  0.688321D+01
      6  -0.344799D+01  0.528510D+01 -0.397767D+01  0.574930D+01 -0.361944D+01
               181           182           183           184           185 
      1   0.138448D+03 -0.174651D+02 -0.176288D+02 -0.264368D+02  0.133288D+02
      2  -0.705728D+02  0.912621D+01  0.880347D+01  0.130863D+02 -0.482833D+01
      3  -0.678751D+02  0.833890D+01  0.882537D+01  0.133506D+02 -0.850048D+01
      4  -0.139721D+02  0.137693D+02  0.186647D+01  0.171344D+02 -0.854650D+01
      5  -0.211280D+02  0.260357D+01  0.171350D+02  0.277297D+01 -0.640257D+01
      6   0.100414D+01 -0.126404D+01  0.124274D+01 -0.152631D+01  0.221418D-01
               186           187           188           189           190 
      1   0.315017D+01 -0.208720D+02  0.223929D+01  0.161825D+02  0.338391D+02
      2  -0.216938D+01  0.119177D+02 -0.208984D+01 -0.102099D+02 -0.151593D+02
      3  -0.980792D+00  0.895433D+01 -0.149449D+00 -0.597254D+01 -0.186798D+02
      4  -0.591136D+01  0.730168D+00 -0.563884D+01 -0.473034D+00  0.324346D+02
      5  -0.969118D+00  0.230585D+02 -0.751228D+00 -0.515397D+01  0.267991D+02
      6   0.249765D+01 -0.508616D-01  0.268142D+01  0.840866D+00  0.119543D+02
               191           192           193           194           195 
      1   0.203487D+02  0.134385D+02  0.263026D+02  0.157745D+02  0.665449D+01
      2  -0.559544D+01 -0.950457D+01 -0.786196D+01  0.138962D+01 -0.385910D+01
      3  -0.147532D+02 -0.393393D+01 -0.184406D+02 -0.171641D+02 -0.279538D+01
      4   0.306870D+02  0.132930D+02  0.386666D+02  0.453626D+02  0.228255D+02
      5   0.164063D+02  0.217759D+02  0.243901D+02  0.265459D+02  0.214836D+02
      6   0.112372D+02  0.783888D+01  0.146433D+02  0.192884D+02  0.143216D+02
               196           197           198           199           200 
      1   0.821964D+01  0.226094D+01  0.670645D+01  0.106266D+02 -0.633110D+01
      2  -0.665719D+01 -0.202409D+01 -0.591182D+01 -0.865294D+01  0.561235D+01
      3  -0.156244D+01 -0.236846D+00 -0.794627D+00 -0.197367D+01  0.718756D+00
      4   0.976166D+01  0.121304D+02  0.113570D+02 -0.709203D+01  0.129785D+02
      5   0.180635D+02  0.119477D+02  0.143550D+02  0.162216D+02 -0.800086D+01
      6   0.694247D+01  0.996815D+01  0.727548D+01 -0.150219D+01  0.436521D+01
               201           202           203           204           205 
      1   0.116489D+02 -0.124620D+02  0.694041D+01 -0.421141D+01  0.106698D+02
      2  -0.103104D+02  0.109419D+02 -0.855197D+01  0.142038D+02 -0.109701D+02
      3  -0.133856D+01  0.152005D+01  0.161156D+01 -0.999239D+01  0.300268D+00
      4  -0.584935D+01  0.141337D+02 -0.282358D+02  0.219020D+02 -0.586167D+01
      5   0.174721D+02 -0.163138D+02  0.247026D+02 -0.324531D+02  0.185015D+02
      6  -0.189195D+01  0.526990D+01 -0.126205D+02  0.961950D+01 -0.247876D+01
               206           207           208           209           210 
      1  -0.173728D+01  0.237897D+01 -0.470134D+02  0.916081D+01  0.135687D+02
      2   0.948772D+01 -0.170094D+02  0.229869D+02 -0.527575D+01 -0.185961D+01
      3  -0.775044D+01  0.146305D+02  0.240265D+02 -0.388506D+01 -0.117091D+02
      4   0.164840D+02 -0.169857D+02 -0.427779D+01 -0.327257D+01 -0.143062D+01
      5  -0.186568D+02  0.330552D+02 -0.102562D+02 -0.149836D+01 -0.781531D+01
      6   0.982966D+01 -0.766370D+01  0.557506D+01 -0.541124D+01 -0.651050D+01
               211           212           213           214           215 
      1   0.773197D+01 -0.757765D+01 -0.560849D+01  0.102617D+02 -0.346955D+01
      2  -0.366339D+01  0.453654D+01  0.341487D+01 -0.223313D+01  0.181528D+01
      3  -0.406858D+01  0.304111D+01  0.219362D+01 -0.802855D+01  0.165426D+01
      4   0.165519D+01  0.283248D+01  0.539466D+01  0.272284D+00  0.368735D+01
      5   0.515593D+00  0.458760D+01  0.536757D+00  0.192140D+01 -0.119473D+01
      6  -0.212134D+01  0.377260D+01  0.501689D+01 -0.339298D+01  0.408589D+01
               216           217           218           219           220 
      1  -0.931530D+01 -0.386341D+02  0.161765D+02  0.155025D+01  0.170686D+02
      2   0.703961D+00  0.273578D+02 -0.148161D+02 -0.210937D+01 -0.100285D+02
      3   0.861134D+01  0.112763D+02 -0.136036D+01  0.559116D+00 -0.704006D+01
      4  -0.119967D+01 -0.891995D+01 -0.204911D+01  0.284113D+01  0.106610D+02
      5   0.325109D+01  0.106760D+02 -0.420907D+00 -0.598540D+01 -0.461994D+01
      6   0.216087D+01 -0.149070D+00  0.278782D+01 -0.476404D+01 -0.174607D+00
               221           222           223           224           225 
      1  -0.595196D+01 -0.992537D+00  0.552365D+01 -0.354312D+01 -0.543506D+01
      2   0.108576D+02  0.940587D+00 -0.358151D+01  0.426772D+01  0.299592D+00
      3  -0.490562D+01  0.519502D-01 -0.194215D+01 -0.724594D+00  0.513547D+01
      4   0.882929D+01 -0.365430D+00  0.780441D+00  0.346941D+01 -0.110681D+01
      5   0.885418D+00  0.343063D+00 -0.125394D+01  0.295671D+00 -0.300994D+01
      6  -0.198308D+01  0.129910D+01 -0.226015D+01  0.135547D+01 -0.542229D+00
               226           227           228           229           230 
      1   0.801075D+00  0.240449D+01 -0.779304D+01 -0.978184D+00  0.346548D+00
      2  -0.227484D+01  0.159971D+00  0.623170D+01  0.239075D+01 -0.122185D+01
      3   0.147377D+01 -0.256446D+01  0.156134D+01 -0.141256D+01  0.875300D+00
      4   0.313690D+01  0.642940D+01 -0.254687D+01  0.430999D+01  0.894692D-01
      5  -0.968637D+01 -0.124456D+01  0.128954D+02  0.116277D+01 -0.506528D+01
      6  -0.240576D+01 -0.122799D+01  0.168188D+01 -0.732460D+00  0.775403D-01
               231           232           233           234           235 
      1  -0.114619D-01 -0.883219D+01  0.224396D+01 -0.128012D+02  0.259693D+02
      2  -0.461567D+01  0.851351D+01 -0.402972D+01 -0.242488D+02 -0.483088D+00
      3   0.462713D+01  0.318683D+00  0.178575D+01  0.370500D+02 -0.254862D+02
      4  -0.423817D+01 -0.535480D+01 -0.910561D+01  0.427905D+01  0.387253D+02
      5  -0.991706D+01  0.167364D+02  0.372921D+01 -0.668266D+02 -0.338708D+01
      6   0.318560D+01  0.428781D+01  0.790852D+01 -0.241163D+02 -0.286392D+01
               236           237           238           239           240 
      1   0.189762D+02  0.209494D+01  0.191811D+02  0.107328D+02 -0.308693D+00
      2   0.577700D+01  0.139371D+00  0.703806D+01  0.255942D+02  0.129770D+01
      3  -0.247532D+02 -0.223431D+01 -0.262192D+02 -0.363270D+02 -0.989008D+00
      4   0.430017D+02 -0.101852D+01  0.455596D+02  0.651053D+02 -0.826736D+00
      5  -0.494922D+01  0.937724D+01 -0.548326D+01 -0.424120D+01  0.705724D+01
      6  -0.457291D+01  0.534803D+01 -0.460297D+01 -0.765541D+01  0.627308D+01
               241           242           243           244           245 
      1   0.718913D+01  0.211820D+01  0.326027D+01  0.976269D+00  0.332131D+01
      2   0.181300D+00  0.504642D+01 -0.138470D+01 -0.409650D+01 -0.147305D+01
      3  -0.737043D+01 -0.716461D+01 -0.187557D+01  0.312023D+01 -0.184826D+01
      4   0.877025D+01  0.137855D+02  0.695387D+01  0.587935D+01  0.534517D+01
      5   0.692658D+01  0.546882D+01 -0.119738D+01 -0.111615D+02 -0.121945D+01
      6   0.395515D+01  0.436002D+01  0.485904D+00 -0.338599D+01 -0.364244D+00
               246           247           248           249           250 
      1  -0.634726D+01  0.408844D+01  0.349477D-01  0.211178D+01 -0.815845D+01
      2   0.496134D+01 -0.177609D+01  0.712985D-01 -0.442368D+00  0.854803D+01
      3   0.138592D+01 -0.231235D+01 -0.106246D+00 -0.166941D+01 -0.389586D+00
      4  -0.222018D+01  0.899780D+01  0.438899D+01 -0.685748D+01 -0.427788D+01
      5   0.118505D+02 -0.182459D+01 -0.692210D+01  0.859742D+01  0.168452D+02
      6   0.204195D+01 -0.155895D+01 -0.377171D+01  0.685057D+01  0.316540D+01
               251           252           253           254           255 
      1   0.227828D+01 -0.566109D+01 -0.815409D+02 -0.828805D+01  0.978476D+01
      2   0.588155D+00 -0.129429D+02  0.418989D+02  0.131131D+02 -0.602024D+01
      3  -0.286644D+01  0.186040D+02  0.396420D+02 -0.482505D+01 -0.376451D+01
      4  -0.102399D+02  0.904580D+01 -0.141507D+02  0.252517D+02  0.928265D+01
      5   0.761781D+01 -0.396813D+02  0.125672D+02  0.587072D+01  0.105933D+02
      6   0.623561D+01 -0.113526D+02  0.923744D+01  0.409010D+01  0.413971D+01
               256           257           258           259           260 
      1   0.147941D+02  0.352417D+02  0.634558D+00  0.281843D+02  0.173463D+01
      2  -0.463196D+00 -0.358354D+02 -0.300601D+00 -0.102914D+02  0.349464D+01
      3  -0.143309D+02  0.593775D+00 -0.333957D+00 -0.178929D+02 -0.522927D+01
      4   0.343683D+02 -0.159258D+02  0.110964D+02  0.208766D+02  0.185064D+02
      5   0.112105D+02  0.138868D+02  0.131862D+02  0.160249D+02  0.119039D+02
      6   0.698501D+01  0.406366D+01  0.691836D+01  0.797369D+01  0.738098D+01
               261           262           263           264           265 
      1   0.129858D+02  0.334997D+01 -0.617952D+01 -0.132582D+01 -0.320636D+01
      2   0.596346D+01  0.369238D+01 -0.323090D+01 -0.353196D+00 -0.819862D+01
      3  -0.189492D+02 -0.704236D+01  0.941042D+01  0.167902D+01  0.114050D+02
      4   0.152733D+02 -0.125142D+02  0.191583D+02  0.395762D+01  0.236018D+02
      5  -0.262430D+02 -0.445975D+01  0.529560D+01  0.343959D+01  0.615466D+01
      6  -0.790761D+01  0.335600D+01 -0.389662D+01 -0.147740D+01 -0.533142D+01
               266           267           268           269           270 
      1  -0.146064D+02 -0.406561D+01  0.411181D+00  0.392862D+00 -0.178072D+01
      2   0.420579D+02  0.593018D+01  0.238134D+01 -0.759337D+01  0.184598D+01
      3  -0.274515D+02 -0.186457D+01 -0.279252D+01  0.720051D+01 -0.652584D-01
      4  -0.621074D+02 -0.122737D+02 -0.365444D+01  0.957591D+01 -0.326690D+01
      5  -0.144051D+02 -0.108659D+02  0.179154D+01 -0.308180D+01 -0.268161D+01
      6   0.183561D+02  0.896436D+01 -0.107667D+01  0.395987D+01  0.204842D+01
               271           272           273           274           275 
      1   0.127064D+03  0.114539D+02 -0.496201D+01 -0.500668D+01  0.642112D+01
      2  -0.598041D+02 -0.156983D+01  0.196959D+01  0.521672D+01 -0.119731D+00
      3  -0.672596D+02 -0.988411D+01  0.299242D+01 -0.210042D+00 -0.630139D+01
      4   0.454511D+02  0.192500D+02 -0.295197D+00  0.116138D+02  0.562616D+01
      5   0.311302D+01  0.114879D+01  0.132189D+02 -0.740443D+00 -0.175430D+01
      6  -0.127011D+01  0.126413D+01  0.401112D+01  0.918105D-01 -0.844081D-01
               276           277           278           279           280 
      1   0.242985D+00 -0.178809D+02 -0.162593D+01  0.927887D+01  0.910644D+00
      2  -0.311546D+00  0.778918D+01 -0.574848D+00 -0.664276D+01  0.255615D+01
      3   0.685616D-01  0.100917D+02  0.220078D+01 -0.263611D+01 -0.346679D+01
      4  -0.194392D+01 -0.802628D+01 -0.541648D+01  0.232785D+01  0.325211D+01
      5  -0.141703D+01  0.132250D+02  0.404087D+00 -0.908155D+00 -0.224867D+01
      6   0.116465D+00  0.354579D+01  0.784586D+00 -0.339604D+00 -0.935221D+00
               281           282           283           284           285 
      1   0.129230D+02 -0.126625D+01  0.110793D+02 -0.311983D+02 -0.364853D+00
      2  -0.138964D+02  0.949521D+00 -0.447943D+01  0.522986D+02 -0.644425D+00
      3   0.973386D+00  0.316727D+00 -0.659984D+01 -0.211003D+02  0.100928D+01
      4  -0.739852D+01 -0.190720D+01  0.990877D+01  0.518696D+02 -0.846338D-01
      5  -0.198959D+00 -0.252328D+01  0.144939D+01 -0.251525D+01  0.609880D+01
      6  -0.136058D+01 -0.225098D+01 -0.594262D-01  0.462898D+01  0.674870D+01
               286           287           288           289           290 
      1  -0.515808D+01  0.159879D+01 -0.527372D+01  0.597555D+01  0.604882D+00
      2   0.163425D+01 -0.499295D+01  0.408328D+01 -0.589807D+01 -0.146184D+01
      3   0.352383D+01  0.339416D+01  0.119044D+01 -0.774863D-01  0.856963D+00
      4  -0.425510D+01 -0.841782D+01  0.338404D+01 -0.530036D+00 -0.272423D+01
      5   0.356422D+00  0.447535D+01  0.612254D+00  0.339185D+01 -0.136700D+01
      6  -0.423852D+00  0.629333D+01 -0.382764D+00  0.847535D-01 -0.136012D+01
               291           292           293           294           295 
      1   0.532810D+01 -0.569149D+01 -0.564838D+01 -0.477521D+00  0.112955D+02
      2  -0.216105D+01  0.236387D+01  0.328514D+01  0.299209D+01 -0.695637D+01
      3  -0.316706D+01  0.332762D+01  0.236324D+01 -0.251457D+01 -0.433911D+01
      4   0.129736D-01 -0.316422D+01 -0.245225D+01  0.232214D+01  0.629175D+01
      5   0.742574D+00 -0.248546D+01  0.215119D+01 -0.554953D+01  0.103785D+02
      6  -0.933394D+00 -0.769841D+00  0.296725D-01  0.139034D+01  0.213969D+01
               296           297 
      1  -0.100506D+01 -0.111571D+02
      2   0.344005D+01 -0.134812D+02
      3  -0.243499D+01  0.246383D+02
      4   0.986191D+01  0.335786D+00
      5   0.127569D+01  0.439715D+02
      6   0.460849D+01  0.168655D+02
 Leave Link  716 at Wed Sep  8 17:33:34 2021, MaxMem=  6442450944 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.211074D+03 -0.974809D+00  0.178636D+01
      2  -0.974809D+00  0.139103D+03 -0.779247D+01
      3   0.178636D+01 -0.779247D+01  0.154635D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.102001D+02 -0.783509D+01  0.233414D+02
      2   0.241848D+01 -0.790040D+01  0.500698D+02
      3  -0.114100D+03 -0.346303D+02  0.146027D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.158628D+03  0.509928D+02 -0.248864D+02
      2  -0.896965D+02 -0.312845D+02  0.358896D+02
      3  -0.689319D+02 -0.197083D+02 -0.110032D+02
      4  -0.328402D+02  0.692987D+02 -0.165626D+02
      5  -0.283787D+02 -0.234147D+02  0.110659D+03
      6   0.137846D+01  0.201591D+02 -0.304398D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.110653D+02  0.147027D-01  0.701020D+00  0.544819D+01  0.193350D+01
      2   0.147027D-01  0.122447D+01 -0.917353D-01  0.193350D+01  0.183267D+01
      3   0.701020D+00 -0.917353D-01  0.147312D+01 -0.531747D+00 -0.278718D+01
                 6             7             8             9            10 
      1  -0.531747D+00 -0.947121D+01  0.269925D+00 -0.281778D+00  0.290830D+02
      2  -0.278718D+01  0.269925D+00 -0.134815D+01 -0.101572D+01  0.157290D+01
      3  -0.207363D+01 -0.281778D+00 -0.101572D+01 -0.209225D+01 -0.122922D+01
                11            12            13            14            15 
      1   0.157290D+01 -0.122922D+01 -0.123309D+01  0.358474D+01  0.154591D+01
      2   0.177516D+01 -0.720504D+00  0.358474D+01 -0.146412D+01 -0.556222D-01
      3  -0.720504D+00  0.298238D+01  0.154591D+01 -0.556222D-01 -0.108109D+01
                16            17            18            19            20 
      1  -0.343958D+01  0.165765D+01  0.115915D+01  0.803883D+01 -0.283230D+00
      2   0.165765D+01  0.342455D-01 -0.913209D+00 -0.283230D+00 -0.120091D+01
      3   0.115915D+01 -0.913209D+00 -0.250851D+00 -0.708338D+00 -0.451465D+00
                21            22            23            24            25 
      1  -0.708338D+00  0.381852D+01 -0.151879D+01 -0.109226D+01 -0.131203D+02
      2  -0.451465D+00 -0.151879D+01  0.256272D+01 -0.214686D+01  0.937071D-01
      3  -0.337177D+01 -0.109226D+01 -0.214686D+01 -0.108440D+01  0.339928D+00
                26            27            28            29            30 
      1   0.937071D-01  0.339928D+00 -0.266625D+02 -0.273004D+00  0.112358D+01
      2  -0.823888D+00 -0.755760D+00 -0.273004D+00 -0.156296D+01  0.248006D+00
      3  -0.755760D+00 -0.150529D+01  0.112358D+01  0.248006D+00 -0.270230D+01
                31            32            33            34            35 
      1   0.244394D+01 -0.465389D+01 -0.152114D+01  0.298321D+01 -0.145298D+01
      2  -0.465389D+01  0.784206D+00  0.462999D+00 -0.145298D+01  0.106110D+00
      3  -0.152114D+01  0.462999D+00  0.230766D+00 -0.619039D+00 -0.765504D+00
                36            37            38            39            40 
      1  -0.619039D+00  0.123679D+02 -0.701936D+00 -0.102608D+01 -0.442959D+01
      2  -0.765504D+00 -0.701936D+00 -0.256312D+01  0.149362D+01 -0.157650D+01
      3   0.747923D+00 -0.102608D+01  0.149362D+01 -0.199788D+01  0.857742D-01
                41            42            43            44            45 
      1  -0.157650D+01  0.857742D-01  0.107150D+02 -0.172872D+01  0.366864D+00
      2  -0.272638D+01  0.242501D+01 -0.172872D+01  0.132745D+01  0.127333D+01
      3   0.242501D+01  0.194479D+01  0.366864D+00  0.127333D+01  0.183223D+01
                46            47            48            49            50 
      1  -0.915468D+01  0.743702D+00  0.868052D+00 -0.208886D+01  0.133816D+01
      2   0.743702D+00  0.184855D+01 -0.703693D+00  0.133816D+01 -0.371712D+01
      3   0.868052D+00 -0.703693D+00  0.348891D+01  0.184148D+01  0.208075D+01
                51            52            53            54            55 
      1   0.184148D+01  0.130080D+02  0.127329D+01 -0.727596D+00 -0.135326D+02
      2   0.208075D+01  0.127329D+01 -0.512004D-01  0.136320D+01 -0.299578D+01
      3   0.972881D+00 -0.727596D+00  0.136320D+01  0.902694D+00 -0.567844D+00
                56            57            58            59            60 
      1  -0.299578D+01 -0.567844D+00 -0.671842D+01 -0.690439D+01 -0.340697D+00
      2  -0.380362D+01  0.386495D-01 -0.690439D+01  0.344349D+00 -0.205018D+01
      3   0.386495D-01 -0.147416D+01 -0.340697D+00 -0.205018D+01  0.165558D+01
                61            62            63            64            65 
      1  -0.176725D+01 -0.530800D+00 -0.306417D+01 -0.373201D+01  0.457628D+01
      2  -0.530800D+00 -0.275666D+01  0.276084D+01  0.457628D+01  0.326104D+01
      3  -0.306417D+01  0.276084D+01  0.475150D+01  0.251530D+01 -0.341823D+00
                66            67            68            69            70 
      1   0.251530D+01  0.125263D+02  0.501239D+01 -0.902331D-01  0.547670D+01
      2  -0.341823D+00  0.501239D+01  0.131498D+01  0.341415D+01  0.732739D+00
      3   0.772479D+00 -0.902331D-01  0.341415D+01 -0.265988D+01  0.525276D-01
                71            72            73            74            75 
      1   0.732739D+00  0.525276D-01  0.307523D+01 -0.334209D+01 -0.250239D+01
      2   0.352260D+01 -0.235959D+01 -0.334209D+01 -0.330929D+01 -0.428952D-01
      3  -0.235959D+01 -0.454580D+01 -0.250239D+01 -0.428952D-01 -0.129512D+01
                76            77            78            79            80 
      1  -0.483537D+01 -0.439238D+01 -0.407690D-01 -0.287903D+01  0.203509D+00
      2  -0.439238D+01 -0.802660D+00 -0.432070D+01  0.203509D+00 -0.314894D+01
      3  -0.407690D-01 -0.432070D+01  0.276957D+01 -0.267464D+00  0.234686D+01
                81            82            83            84            85 
      1  -0.267464D+00  0.299842D+01 -0.400853D+01 -0.149330D+01 -0.607221D+01
      2   0.234686D+01 -0.400853D+01 -0.384569D+01  0.356541D+00 -0.414311D+01
      3   0.288754D+01 -0.149330D+01  0.356541D+00 -0.848930D+00 -0.591486D-01
                86            87            88            89            90 
      1  -0.414311D+01 -0.591486D-01 -0.222832D+01 -0.901722D+00 -0.637938D+00
      2  -0.238158D+01 -0.253901D+01 -0.901722D+00 -0.330803D+01  0.180993D+01
      3  -0.253901D+01  0.285417D+01 -0.637938D+00  0.180993D+01  0.606728D+01
                91            92            93            94            95 
      1   0.409492D+01  0.261430D+01  0.508603D+00  0.178904D-01  0.550088D+01
      2   0.261430D+01  0.187692D+01  0.103890D+01  0.550088D+01 -0.365063D+01
      3   0.508603D+00  0.103890D+01  0.137099D+01  0.189899D+01 -0.592632D-01
                96            97            98            99           100 
      1   0.189899D+01  0.390733D+01  0.175499D+01  0.190112D+01  0.244407D+01
      2  -0.592632D-01  0.175499D+01  0.192657D+01  0.196593D+01 -0.170655D+01
      3   0.152345D+01  0.190112D+01  0.196593D+01 -0.406439D+01  0.156714D+01
               101           102           103           104           105 
      1  -0.170655D+01  0.156714D+01 -0.160980D+01 -0.658836D+00 -0.136107D+01
      2   0.235357D+00 -0.928873D+00 -0.658836D+00  0.364968D+01  0.170344D+00
      3  -0.928873D+00  0.299549D+00 -0.136107D+01  0.170344D+00 -0.170431D+01
               106           107           108           109           110 
      1   0.258559D+01 -0.256001D+01  0.129561D+01 -0.528843D+01  0.216315D+01
      2  -0.256001D+01  0.186085D+01 -0.264730D+01  0.216315D+01 -0.151838D+01
      3   0.129561D+01 -0.264730D+01  0.277417D+01 -0.342327D+01  0.738385D+00
               111           112           113           114           115 
      1  -0.342327D+01  0.310823D+01 -0.245340D+01  0.129320D+01 -0.748645D+01
      2   0.738385D+00 -0.245340D+01  0.269461D+01 -0.225271D+01  0.297349D+01
      3  -0.177945D+01  0.129320D+01 -0.225271D+01  0.208962D+01 -0.308860D+01
               116           117           118           119           120 
      1   0.297349D+01 -0.308860D+01  0.101183D+01  0.530087D-01  0.125228D+01
      2  -0.438600D+01  0.217491D+01  0.530087D-01  0.203975D+01  0.441502D+00
      3   0.217491D+01 -0.727846D+01  0.125228D+01  0.441502D+00  0.290706D+00
               121           122           123           124           125 
      1   0.365509D-01  0.206622D+01  0.151943D+00  0.325233D+01 -0.115109D+01
      2   0.206622D+01 -0.611655D+01  0.693561D+00 -0.115109D+01  0.288027D+01
      3   0.151943D+00  0.693561D+00  0.218422D+00 -0.934583D+00  0.262877D+01
               126           127           128           129           130 
      1  -0.934583D+00  0.188230D+01  0.605708D+00 -0.184201D+01  0.254473D+00
      2   0.262877D+01  0.605708D+00  0.259206D+00 -0.327523D+00  0.146003D+00
      3   0.465949D+01 -0.184201D+01 -0.327523D+00  0.195946D+01 -0.535381D+00
               131           132           133           134           135 
      1   0.146003D+00 -0.535381D+00 -0.220951D+01 -0.882147D+00  0.262895D+01
      2   0.364871D+00 -0.536970D+00 -0.882147D+00 -0.113507D+01  0.156810D+01
      3  -0.536970D+00  0.197844D+01  0.262895D+01  0.156810D+01 -0.696139D+01
               136           137           138           139           140 
      1  -0.344708D+01  0.985137D+00 -0.178892D+01  0.152314D+01 -0.583396D+00
      2   0.985137D+00 -0.738043D+00  0.617053D+00 -0.583396D+00  0.623103D+00
      3  -0.178892D+01  0.617053D+00 -0.173849D+01  0.113410D+01 -0.641971D+00
               141           142           143           144           145 
      1   0.113410D+01 -0.246778D+01  0.992465D+00 -0.241978D+01 -0.199089D+01
      2  -0.641971D+00  0.992465D+00 -0.124089D+01  0.144727D+01 -0.633960D+00
      3   0.172596D+01 -0.241978D+01  0.144727D+01 -0.430750D+01  0.204823D+01
               146           147           148           149           150 
      1  -0.633960D+00  0.204823D+01 -0.358101D+00 -0.167872D+00  0.639976D+00
      2  -0.333782D+00  0.631842D+00 -0.167872D+00 -0.574429D+00  0.804689D+00
      3   0.631842D+00 -0.224095D+01  0.639976D+00  0.804689D+00 -0.231617D+01
               151           152           153           154           155 
      1   0.202955D+01  0.103058D+01 -0.263539D+01  0.348244D+01 -0.112165D+01
      2   0.103058D+01  0.160088D+01 -0.242283D+01 -0.112165D+01  0.100653D+01
      3  -0.263539D+01 -0.242283D+01  0.723873D+01  0.242127D+01 -0.108248D+01
               156           157           158           159           160 
      1   0.242127D+01 -0.195231D+01  0.822347D+00 -0.143315D+01  0.246316D+01
      2  -0.108248D+01  0.822347D+00 -0.918095D+00  0.991220D+00 -0.125229D+01
      3   0.211593D+01 -0.143315D+01  0.991220D+00 -0.203836D+01  0.271535D+01
               161           162           163           164           165 
      1  -0.125229D+01  0.271535D+01  0.155939D+01 -0.375808D+00 -0.159016D+01
      2   0.172345D+01 -0.209662D+01 -0.375808D+00  0.874980D+00  0.436940D+00
      3  -0.209662D+01  0.460045D+01 -0.159016D+01  0.436940D+00  0.132317D+01
               166           167           168           169           170 
      1   0.108512D+01  0.145098D+01  0.424843D+00 -0.451297D+01  0.684594D+00
      2   0.145098D+01 -0.110437D+01 -0.118503D+01  0.684594D+00 -0.182619D+01
      3   0.424843D+00 -0.118503D+01 -0.126239D+01  0.293274D+01 -0.247951D+01
               171           172           173           174           175 
      1   0.293274D+01  0.330067D+01 -0.181380D+01  0.101839D+01 -0.268616D+01
      2  -0.247951D+01 -0.181380D+01  0.236008D+01 -0.368489D+00  0.316254D+01
      3  -0.663880D+01  0.101839D+01 -0.368489D+00  0.664723D+00 -0.513387D+00
               176           177           178           179           180 
      1   0.316254D+01 -0.513387D+00  0.435073D+01 -0.927647D+00  0.115993D+01
      2  -0.548039D+01  0.136297D+01 -0.927647D+00  0.271687D+01 -0.152920D+01
      3   0.136297D+01 -0.109563D+01  0.115993D+01 -0.152920D+01  0.867429D+00
               181           182           183           184           185 
      1   0.129279D+02 -0.149403D+01 -0.168281D+01 -0.321433D+01  0.114649D+01
      2  -0.149403D+01  0.116302D+01  0.218028D+00  0.114649D+01 -0.992499D+00
      3  -0.168281D+01  0.218028D+00  0.144455D+01  0.160749D+00 -0.699385D+00
               186           187           188           189           190 
      1   0.160749D+00 -0.239216D+01  0.971621D-02  0.191396D+01  0.418938D+01
      2  -0.699385D+00  0.971621D-02 -0.785587D+00  0.763457D-01  0.303596D+01
      3  -0.108552D+00  0.191396D+01  0.763457D-01 -0.311456D+00  0.219851D+01
               191           192           193           194           195 
      1   0.303596D+01  0.219851D+01  0.395115D+01  0.375486D+01  0.192382D+01
      2   0.289083D+01  0.127677D+01  0.375486D+01  0.488659D+01  0.255590D+01
      3   0.127677D+01  0.187998D+01  0.192382D+01  0.255590D+01  0.211128D+01
               196           197           198           199           200 
      1   0.131585D+01  0.896983D+00  0.151464D+01  0.122497D+01 -0.679115D+00
      2   0.896983D+00  0.133769D+01  0.116663D+01 -0.679115D+00  0.132069D+01
      3   0.151464D+01  0.116663D+01  0.131355D+01  0.149950D+01 -0.669815D+00
               201           202           203           204           205 
      1   0.149950D+01 -0.156005D+01  0.135848D+01 -0.134882D+01  0.156059D+01
      2  -0.669815D+00  0.135848D+01 -0.343988D+01  0.261247D+01 -0.676607D+00
      3   0.149984D+01 -0.134882D+01  0.261247D+01 -0.360266D+01  0.148149D+01
               206           207           208           209           210 
      1  -0.676607D+00  0.148149D+01 -0.699445D+01  0.267726D+00  0.691677D+00
      2   0.208941D+01 -0.205235D+01  0.267726D+00 -0.131462D+01 -0.799784D+00
      3  -0.205235D+01  0.369935D+01  0.691677D+00 -0.799784D+00 -0.200447D+01
               211           212           213           214           215 
      1   0.319551D+00 -0.699687D+00 -0.580341D+00  0.742704D+00 -0.407724D+00
      2  -0.699687D+00  0.812213D+00  0.827502D+00 -0.407724D+00  0.611465D+00
      3  -0.580341D+00  0.827502D+00  0.454257D+00 -0.844439D+00  0.114095D+00
               216           217           218           219           220 
      1  -0.844439D+00 -0.552851D+01  0.127345D+01  0.547600D+00  0.298834D+01
      2   0.114095D+00  0.127345D+01 -0.183661D+01  0.236665D+00  0.149709D+00
      3   0.103928D+01  0.547600D+00  0.236665D+00 -0.105111D+01 -0.154499D+00
               221           222           223           224           225 
      1   0.149709D+00 -0.154499D+00  0.708315D+00 -0.223464D+00 -0.438913D+00
      2   0.212456D+01  0.342792D-01 -0.223464D+00  0.679012D+00  0.157174D+00
      3   0.342792D-01  0.244478D+00 -0.438913D+00  0.157174D+00 -0.329347D+00
               226           227           228           229           230 
      1   0.340731D+00  0.440571D+00 -0.106498D+01  0.409618D-01  0.364912D+00
      2   0.440571D+00  0.576623D+00 -0.111213D+00  0.364912D+00 -0.447833D-01
      3  -0.106498D+01 -0.111213D+00  0.976441D+00  0.532804D-01 -0.627423D+00
               231           232           233           234           235 
      1   0.532804D-01 -0.149175D+01 -0.321971D+00  0.127824D+01  0.352192D+01
      2  -0.627423D+00 -0.321971D+00 -0.134237D+01  0.461703D+00  0.353797D+01
      3  -0.116201D+01  0.127824D+01  0.461703D+00 -0.879405D+01  0.207827D-01
               236           237           238           239           240 
      1   0.353797D+01  0.207827D-01  0.358073D+01  0.430399D+01 -0.150868D+00
      2   0.407175D+01 -0.193605D+00  0.430399D+01  0.718799D+01 -0.372245D-01
      3  -0.193605D+00  0.944272D+00 -0.150868D+00 -0.372245D-01  0.741497D+00
               241           242           243           244           245 
      1   0.107913D+01  0.811971D+00  0.781436D+00  0.365446D+00 -0.876270D+00
      2   0.811971D+00  0.161938D+01  0.661783D+00 -0.876270D+00 -0.453198D+00
      3   0.781436D+00  0.661783D+00 -0.151478D+00  0.129609D+01  0.662794D-01
               246           247           248           249           250 
      1   0.129609D+01 -0.131042D+01 -0.959446D+00  0.173080D+00  0.255255D+01
      2   0.662794D-01 -0.959446D+00 -0.593927D+00  0.108019D+01  0.214712D+00
      3  -0.110064D+01  0.173080D+00  0.108019D+01 -0.123200D+01 -0.191012D+01
               251           252           253           254           255 
      1   0.214712D+00 -0.191012D+01  0.788501D+01 -0.717711D+00 -0.194183D+01
      2   0.147380D+01 -0.107814D+01 -0.717711D+00 -0.346668D+01 -0.829984D+00
      3  -0.107814D+01  0.594694D+01 -0.194183D+01 -0.829984D+00 -0.112677D+01
               256           257           258           259           260 
      1  -0.502207D+01 -0.366678D+01 -0.125652D+01 -0.645240D+01 -0.153954D+01
      2  -0.366678D+01  0.380397D+01 -0.130934D+01 -0.153954D+01 -0.246467D+01
      3  -0.125652D+01 -0.130934D+01 -0.188286D+01 -0.158099D+01 -0.147517D+01
               261           262           263           264           265 
      1  -0.158099D+01 -0.973479D+00  0.143570D+01  0.493546D+00  0.160958D+01
      2  -0.147517D+01  0.143570D+01 -0.194473D+01 -0.476772D+00 -0.278025D+01
      3   0.364516D+01  0.493546D+00 -0.476772D+00 -0.411017D+00 -0.560220D+00
               266           267           268           269           270 
      1  -0.278025D+01 -0.560220D+00 -0.232312D+00  0.504244D+00 -0.208904D+00
      2   0.970162D+01  0.193060D+01  0.504244D+00 -0.138637D+01  0.553553D+00
      3   0.193060D+01  0.170520D+01 -0.208904D+00  0.553553D+00  0.473658D+00
               271           272           273           274           275 
      1  -0.150254D+02 -0.188527D+01  0.303653D+00  0.684374D+00 -0.100160D+01
      2  -0.188527D+01 -0.139853D+01 -0.128710D+00 -0.100160D+01 -0.481357D+00
      3   0.303653D+00 -0.128710D+00 -0.106109D+01  0.925360D-01  0.211442D+00
               276           277           278           279           280 
      1   0.925360D-01  0.241149D+01  0.464205D+00 -0.116100D+01 -0.180375D-01
      2   0.211442D+00  0.464205D+00  0.629049D+00 -0.147149D-01 -0.723806D+00
      3   0.259508D+00 -0.116100D+01 -0.147149D-01  0.716253D-01  0.307510D+00
               281           282           283           284           285 
      1  -0.723806D+00  0.307510D+00 -0.153504D+01 -0.259763D+00 -0.374155D-01
      2   0.205137D+01  0.223966D+00 -0.259763D+00 -0.840375D+01 -0.205353D-01
      3   0.223966D+00  0.403567D+00 -0.374155D-01 -0.205353D-01 -0.922650D+00
               286           287           288           289           290 
      1   0.993561D+00  0.324655D+00  0.471864D-01 -0.381085D+00  0.312278D+00
      2   0.324655D+00  0.123322D+01 -0.714334D+00  0.312278D+00  0.453833D+00
      3   0.471864D-01 -0.714334D+00 -0.113529D+00 -0.521585D+00  0.206218D+00
               291           292           293           294           295 
      1  -0.521585D+00  0.118881D+01  0.323878D+00  0.187992D+00 -0.198474D+01
      2   0.206218D+00  0.323878D+00  0.204376D+00 -0.388686D+00 -0.336713D+00
      3   0.314067D+00  0.187992D+00 -0.388686D+00  0.746743D+00 -0.748419D+00
               296           297 
      1  -0.336713D+00 -0.748419D+00
      2  -0.136829D+01 -0.210467D+00
      3  -0.210467D+00 -0.617440D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.286993D+01 -0.204385D+01  0.175484D+01 -0.734835D+01 -0.205635D+01
      2   0.356631D+01 -0.254094D+01  0.943924D+01 -0.263274D+01  0.210255D+01
      3   0.188202D+02 -0.123855D+01  0.275932D+01  0.707440D+01 -0.163242D+01
                 6             7             8             9            10 
      1  -0.238374D+01 -0.566045D+00  0.237157D+01 -0.845357D-01 -0.370257D+01
      2  -0.370458D+01 -0.455277D+01 -0.117972D+01  0.248915D+01 -0.924641D+00
      3   0.261510D+01  0.147942D+02  0.604399D+00  0.257219D+01 -0.359007D+02
                11            12            13            14            15 
      1  -0.414218D+00  0.123227D+01  0.344985D+01  0.468491D+01 -0.886748D+01
      2   0.531309D+00 -0.242785D+01  0.432587D+01 -0.347026D+00  0.412857D+00
      3  -0.171201D+01  0.106794D+01  0.105567D+02 -0.191732D+01 -0.105428D+01
                16            17            18            19            20 
      1  -0.420242D+01 -0.231373D+01 -0.457947D+01 -0.118325D+01  0.142808D+01
      2  -0.225978D+02 -0.151973D+01 -0.385419D+01 -0.470000D+01 -0.203336D+01
      3  -0.591388D-01 -0.154344D+01 -0.652872D+00 -0.109042D+02 -0.174810D+01
                21            22            23            24            25 
      1  -0.158633D+01  0.566679D+01 -0.223893D+01 -0.331325D+01  0.528494D+01
      2   0.326854D+01 -0.401660D+01 -0.226634D+01  0.123344D+01 -0.140516D+01
      3   0.297596D+01  0.779610D+01  0.130041D+01 -0.231055D+01  0.182368D+02
                26            27            28            29            30 
      1   0.180801D+01 -0.191864D+01  0.216146D+01  0.705029D+00 -0.334297D+01
      2   0.663407D+00 -0.192083D+01  0.253912D+00  0.224468D+01 -0.357679D+01
      3  -0.105149D+01 -0.465876D+01  0.285058D+02  0.711221D+00 -0.282466D+01
                31            32            33            34            35 
      1  -0.136858D+01  0.497904D+01 -0.844690D+01 -0.599515D+01 -0.146213D+01
      2   0.454646D+01 -0.329591D+00  0.242661D+01 -0.246416D+02  0.350445D+01
      3   0.864222D+01  0.527294D+01  0.837516D+00 -0.639964D+01 -0.193816D+01
                36            37            38            39            40 
      1  -0.329268D+01 -0.320923D+01 -0.395608D+00 -0.140323D+01 -0.484168D+01
      2  -0.312622D+00 -0.123999D+01 -0.249125D+01  0.825554D+01 -0.310514D+01
      3   0.285688D+01 -0.145152D+02  0.130253D+00  0.269399D+01  0.151833D+02
                41            42            43            44            45 
      1   0.129681D+01  0.818293D+00 -0.209378D+01  0.388951D+01  0.302214D+01
      2   0.169787D+01 -0.239001D+01 -0.678961D+01 -0.934017D+00  0.195222D+01
      3  -0.675427D+00  0.203989D+01 -0.104571D+02  0.377207D+01  0.129145D+01
                46            47            48            49            50 
      1   0.277603D+01  0.136971D+01  0.319380D+01  0.927351D+01  0.130107D+01
      2  -0.108876D+01 -0.207375D+01  0.304403D+01 -0.385936D+01 -0.174878D+01
      3   0.147530D+02 -0.204972D+01 -0.799208D+00  0.129979D+02  0.204651D+01
                51            52            53            54            55 
      1  -0.259524D+01  0.231070D+01  0.362300D+01  0.195202D+00  0.195257D+01
      2   0.910371D+00 -0.391410D+01  0.838336D+00 -0.504533D-01 -0.711302D+01
      3  -0.505632D+01 -0.134941D+02 -0.183800D+01 -0.134735D+01  0.237610D+02
                56            57            58            59            60 
      1   0.177451D+01 -0.800870D-01  0.402701D+01 -0.303699D+01  0.255522D+01
      2  -0.609894D+00 -0.316822D+01 -0.408565D+01 -0.121371D+02  0.748672D+01
      3   0.131728D+02  0.625780D-01  0.393048D+02  0.885860D+01  0.823246D+01
                61            62            63            64            65 
      1  -0.483020D+00  0.791968D+01  0.434636D+01 -0.201631D+01 -0.119654D+00
      2  -0.196560D+02  0.902877D+01  0.158841D+02  0.122160D+02 -0.451111D+00
      3   0.390318D+01  0.110242D+02 -0.509159D+01 -0.284974D+02 -0.171649D+02
                66            67            68            69            70 
      1  -0.775922D+00 -0.326563D+01 -0.229910D+01 -0.263444D+01  0.263117D+01
      2   0.663372D+01  0.426564D+01  0.160327D+02 -0.121622D+02 -0.136858D+01
      3   0.202219D+01 -0.263163D+02 -0.676850D+01 -0.138975D+02 -0.581420D+01
                71            72            73            74            75 
      1   0.493729D+01  0.204880D+01 -0.199172D+01 -0.613709D+01  0.668313D+00
      2  -0.100919D+02 -0.188422D+02 -0.181831D+02  0.542198D+01  0.334746D+01
      3  -0.151004D+02  0.807592D+01  0.173421D+02  0.946556D+01 -0.258046D+01
                76            77            78            79            80 
      1  -0.877858D+01  0.197274D+01 -0.136341D+02  0.563064D+00 -0.673089D+01
      2   0.667208D+01 -0.106485D+02  0.118077D+02  0.359892D+01  0.976239D+01
      3   0.174284D+02  0.682116D+00  0.167133D+02 -0.287514D+01  0.124725D+02
                81            82            83            84            85 
      1   0.258648D+01  0.651268D+01  0.411214D+01  0.139596D+01  0.595159D+01
      2   0.136809D+02 -0.564249D+00 -0.372886D+01 -0.260386D+01 -0.724626D+01
      3  -0.958295D+01  0.247479D+02  0.442185D+01 -0.277776D+01  0.766832D+01
                86            87            88            89            90 
      1   0.899412D+01 -0.452479D+01  0.312541D+01  0.305966D+01 -0.156879D+02
      2  -0.146303D+02  0.113284D+02 -0.599514D+01  0.686237D+01  0.207157D+02
      3   0.375477D+00  0.105711D+02  0.492810D+00  0.118611D+02 -0.720146D+01
                91            92            93            94            95 
      1   0.657719D+00  0.418051D+00  0.203882D+01  0.203595D+01 -0.190888D+01
      2  -0.422023D+01 -0.369870D+01 -0.605754D+00 -0.413348D+01 -0.273494D+01
      3  -0.143096D+01  0.297452D+00  0.312603D+01  0.307988D+02 -0.164632D+02
                96            97            98            99           100 
      1  -0.328262D+01  0.259912D+01  0.492999D+01 -0.105834D+01 -0.876628D+00
      2  -0.690522D+01 -0.154185D+02 -0.660715D+01  0.143326D+02  0.154442D+01
      3  -0.135718D+01  0.206685D+01  0.439668D+01  0.503713D+01  0.114168D+02
               101           102           103           104           105 
      1  -0.541640D+01 -0.503052D+01 -0.168958D+00  0.599200D-01  0.270387D+01
      2   0.379617D+01  0.526193D+01  0.221911D+01  0.122555D+01  0.129072D+02
      3  -0.136535D+02 -0.522615D+01 -0.705900D+01  0.386456D+01  0.283748D+01
               106           107           108           109           110 
      1  -0.679470D+01  0.885585D+00 -0.383989D+01  0.422450D+01  0.273557D+01
      2  -0.375808D+01  0.103362D+02 -0.162346D+02  0.894738D+01 -0.275206D+01
      3  -0.990774D+01  0.127144D+02 -0.675717D+01 -0.592017D+00 -0.439592D+01
               111           112           113           114           115 
      1   0.397082D+01 -0.637346D+00  0.409900D+00 -0.697983D+01  0.416602D+01
      2   0.840501D+01 -0.815818D+00  0.745026D+01 -0.105163D+02  0.417277D+01
      3   0.689273D+00 -0.407406D+01  0.119279D+02 -0.759324D+01  0.106026D+02
               116           117           118           119           120 
      1   0.455243D+01  0.115180D+02 -0.358471D+01  0.267811D+01  0.513856D-01
      2  -0.678911D+01  0.288448D+02 -0.549946D+01 -0.106270D+01 -0.100171D+00
      3  -0.184633D+02  0.587914D+01 -0.706170D+00  0.631893D+01  0.420924D+01
               121           122           123           124           125 
      1   0.108036D+01 -0.586830D+01 -0.287007D+01 -0.192817D+01  0.694661D+01
      2  -0.230255D+01 -0.411607D+01 -0.187130D+01 -0.194515D+01 -0.760377D+01
      3   0.751655D+01 -0.151958D+02  0.260668D+01 -0.153200D+01  0.862065D+01
               126           127           128           129           130 
      1  -0.709036D+01 -0.221856D+01 -0.198094D+01  0.109355D+01 -0.493374D+00
      2  -0.148742D+02  0.445643D+01  0.115432D+01 -0.104867D+01  0.427349D+00
      3   0.836895D+01 -0.424946D+00 -0.871454D+00  0.831916D+00  0.985698D+00
               131           132           133           134           135 
      1  -0.128642D+01 -0.161719D+00  0.319575D+01  0.544486D+01 -0.529484D+01
      2   0.373866D-01  0.516000D+00 -0.502984D+01 -0.563350D+00 -0.198309D+01
      3  -0.333268D+00  0.289888D+00  0.104271D+01  0.217507D+01 -0.167538D+01
               136           137           138           139           140 
      1  -0.218100D+01  0.299572D+01 -0.816441D+00  0.116711D+01 -0.137680D+01
      2  -0.781651D+01  0.157511D+01 -0.960575D+00  0.196127D+01 -0.655268D+00
      3   0.558976D+00 -0.162529D+01  0.822134D+00  0.611280D+00  0.119616D+01
               141           142           143           144           145 
      1  -0.503985D+00 -0.215017D+01  0.414410D+01 -0.269374D+01  0.193024D+01
      2   0.177912D+00 -0.471448D+01  0.770388D+00  0.542911D+00  0.406175D+01
      3  -0.468636D+00  0.688420D+00 -0.257004D+01  0.172563D+01  0.291147D+01
               146           147           148           149           150 
      1  -0.848465D+00 -0.252173D+01  0.899250D+00  0.114332D+00 -0.375031D+01
      2   0.434384D+00 -0.983821D+00  0.336977D+00 -0.627501D-01  0.650790D+00
      3   0.220243D-02 -0.223212D+01  0.168110D+01 -0.269998D+00 -0.607854D+00
               151           152           153           154           155 
      1  -0.180482D+01  0.217360D+01  0.581656D+01  0.284636D+01  0.125739D+01
      2  -0.467507D+01 -0.410588D+00 -0.768962D+00 -0.468410D+01  0.565635D-01
      3  -0.256156D+01  0.621815D+00  0.231967D+01 -0.551799D+01 -0.981083D+00
               156           157           158           159           160 
      1   0.265285D+01 -0.173484D+01  0.290778D+00 -0.372736D+01  0.279019D+01
      2  -0.184966D+00  0.140993D+01  0.128135D+00 -0.120304D+01 -0.258547D+01
      3  -0.248912D+01  0.407122D+01  0.575492D+00  0.900478D+00 -0.305232D+01
               161           162           163           164           165 
      1   0.116646D+01  0.467782D+01 -0.127202D+01 -0.577656D+00  0.132184D+01
      2  -0.433615D+00  0.202996D+01 -0.556157D+01  0.730263D+00  0.519654D+01
      3  -0.142754D+01 -0.176311D+01 -0.120436D+01 -0.387673D+01  0.689780D+00
               166           167           168           169           170 
      1  -0.322865D+00 -0.154853D+00 -0.201654D+01  0.271316D+01  0.113000D+01
      2   0.162793D+01 -0.298971D+01 -0.438325D+01  0.477100D+01 -0.863289D+01
      3  -0.472324D+01  0.200637D+01  0.286824D+01  0.345800D+01  0.563704D+01
               171           172           173           174           175 
      1  -0.707701D+01  0.180285D+01 -0.138540D+01  0.173010D+01 -0.242477D+01
      2  -0.220895D+02  0.633496D+01 -0.241806D+01  0.467733D+01 -0.286967D+01
      3   0.408535D+01  0.230025D+01 -0.722821D+01  0.133289D+00 -0.505019D+01
               176           177           178           179           180 
      1   0.411459D+01 -0.465388D+01  0.164283D+01 -0.213037D+01  0.281126D+01
      2   0.715635D+01 -0.529167D+01  0.400125D+01 -0.629010D+01  0.385745D+01
      3   0.151201D+02 -0.374726D+01 -0.286790D+01 -0.881882D+01  0.359143D+01
               181           182           183           184           185 
      1   0.266158D+00 -0.610806D+00 -0.183183D+00  0.830568D-01  0.498939D+00
      2  -0.365397D+01  0.608642D+00  0.932693D+01 -0.412789D+00 -0.312287D+01
      3   0.565913D+01 -0.864239D+01 -0.921981D+00 -0.191999D+01  0.449308D+01
               186           187           188           189           190 
      1  -0.100011D+01 -0.428179D+00  0.109652D+01 -0.177691D+00  0.335914D+01
      2  -0.148138D+00  0.584609D+01  0.432595D+00 -0.720512D+00  0.238742D+01
      3   0.332915D+01  0.581323D+00  0.413919D+01 -0.642809D+00 -0.894468D+01
               191           192           193           194           195 
      1   0.505556D+01 -0.524311D+00  0.538322D+01  0.713412D+01  0.114849D+00
      2   0.447784D+00  0.626450D+01  0.333417D-01  0.482660D+01  0.716050D+01
      3  -0.115507D+02 -0.370030D+01 -0.102172D+02 -0.185547D+02 -0.916694D+01
               196           197           198           199           200 
      1   0.105770D+01  0.291411D+01  0.629427D+00 -0.232550D+01  0.323323D+01
      2   0.231113D+01  0.285612D+01  0.338189D+01  0.522820D+01 -0.149443D+01
      3  -0.181260D+01 -0.528501D+01 -0.380319D+01  0.256918D+01 -0.610870D+01
               201           202           203           204           205 
      1  -0.182764D+01  0.279963D+01 -0.980241D+01  0.503434D+01 -0.209540D+01
      2   0.477884D+01 -0.124643D+01  0.895504D+01 -0.136758D+02  0.101264D+01
      3   0.321833D+01 -0.338808D+01  0.149751D+02 -0.102422D+02  0.247632D+01
               206           207           208           209           210 
      1   0.767462D+01 -0.540706D+01 -0.171784D+01 -0.263634D+01  0.131212D+01
      2  -0.758725D+01  0.128633D+02  0.201977D+02 -0.342385D+01 -0.811143D+01
      3  -0.882991D+01  0.842220D+01 -0.881262D+01  0.358381D+01  0.393738D+01
               211           212           213           214           215 
      1  -0.141427D+01  0.237508D+00 -0.434782D-01  0.851496D+00  0.202692D+01
      2  -0.271969D+01  0.488639D+01  0.214255D+01 -0.819473D+01  0.103202D+01
      3   0.471506D+01 -0.274462D+01 -0.334219D+01  0.252223D+01 -0.196529D+01
               216           217           218           219           220 
      1  -0.355594D+00 -0.178048D+01  0.148622D+01  0.279206D+01 -0.174851D+00
      2   0.503974D+01 -0.665397D+01  0.238793D+01 -0.124780D+01  0.317461D+01
      3  -0.134074D+01 -0.217742D+02  0.690487D+01  0.353611D+00  0.612693D+01
               221           222           223           224           225 
      1  -0.234967D+01 -0.998619D+00  0.185549D+01  0.560267D+00  0.433762D-01
      2   0.174058D-01 -0.470206D+00 -0.302665D+01 -0.245783D+00 -0.172327D+01
      3  -0.687857D+01 -0.663470D+00  0.191190D+01 -0.277348D+01 -0.158362D+01
               226           227           228           229           230 
      1   0.119946D+01 -0.624400D+00 -0.129466D+01 -0.285715D+00  0.171367D+01
      2  -0.421492D+01 -0.158403D+00  0.286013D+01 -0.383054D+00 -0.183531D+01
      3  -0.243309D+01 -0.229786D+01 -0.880218D+00 -0.246956D+00  0.118196D+01
               231           232           233           234           235 
      1   0.191360D+01 -0.139975D+01  0.473118D+01  0.158034D+02 -0.419724D+01
      2  -0.465581D+01 -0.826810D+00  0.100050D+01 -0.309666D+02  0.359152D+01
      3   0.183534D+01 -0.123764D+01  0.478764D+01 -0.173546D+01 -0.690638D+01
               236           237           238           239           240 
      1  -0.448766D+01 -0.320186D+01 -0.546660D+01 -0.839890D+01 -0.405145D+01
      2   0.261150D+01  0.542117D+01  0.359254D+01  0.412946D+01  0.378561D+01
      3  -0.113172D+02  0.118179D+01 -0.634164D+01 -0.210160D+02  0.606946D-01
               241           242           243           244           245 
      1  -0.227630D+01 -0.177373D+01 -0.904757D+00  0.202701D+00 -0.365321D+00
      2   0.336935D+01  0.288520D+01  0.305889D+00 -0.545275D+01  0.143990D+00
      3  -0.812532D+00 -0.541727D+01 -0.131437D+01 -0.284943D+01 -0.168483D+01
               246           247           248           249           250 
      1  -0.800172D+00 -0.647470D-01  0.452493D-01 -0.888097D+00 -0.121612D+01
      2   0.370675D+01  0.411685D+00 -0.264377D+01  0.415664D+01  0.103987D+01
      3  -0.498736D+00 -0.543646D+00 -0.108474D+01  0.276105D+01 -0.123191D+01
               251           252           253           254           255 
      1   0.279989D+01  0.304020D+01 -0.226001D+01  0.912536D+00 -0.223004D+01
      2   0.356732D+01 -0.181595D+02  0.154685D+02  0.377020D+01  0.643281D+01
      3   0.382057D+01 -0.207448D+01 -0.166577D+02 -0.147353D+02 -0.419110D-01
               256           257           258           259           260 
      1  -0.151775D+01 -0.604127D+01 -0.373904D+01 -0.750871D+00  0.961910D+00
      2   0.483394D+01  0.475795D+01  0.630705D+01  0.447382D+01  0.545289D+01
      3  -0.609004D+01  0.209187D+02 -0.353454D+01  0.140895D+01 -0.620405D+01
               261           262           263           264           265 
      1   0.858478D+01  0.912417D+00 -0.136558D+01  0.612947D+00 -0.264383D+01
      2  -0.180458D+02 -0.662545D+00  0.283923D+00  0.103268D+01 -0.122634D-01
      3  -0.475370D+01  0.291938D+01 -0.419801D+01 -0.168641D+01 -0.388380D+01
               266           267           268           269           270 
      1   0.935502D+01 -0.202675D+01  0.429007D+00 -0.105956D+01  0.106027D+01
      2  -0.377709D+01 -0.517861D+01  0.248733D+00 -0.165259D+01 -0.935945D+00
      3   0.284557D+02  0.576026D+01  0.130342D+01 -0.473558D+01  0.155404D+01
               271           272           273           274           275 
      1   0.120878D+01  0.563755D+00 -0.220731D+01  0.781174D+00  0.625089D+00
      2  -0.818540D+01 -0.199990D+00  0.812237D+01 -0.628621D+00 -0.135762D+01
      3   0.152598D+02 -0.618353D+01 -0.116366D+01 -0.360574D+01 -0.488336D+00
               276           277           278           279           280 
      1  -0.163584D+00 -0.194613D+01  0.642802D+00 -0.375357D-01  0.132698D+01
      2  -0.685812D+00  0.434644D+01 -0.191761D+00 -0.391241D+00 -0.109569D+01
      3   0.860606D+00 -0.172419D+01  0.195483D+01  0.180076D+01 -0.451783D+01
               281           282           283           284           285 
      1  -0.752564D+00  0.156336D+01 -0.353239D+00  0.503535D+01 -0.420047D+01
      2  -0.964100D+00 -0.123833D+01 -0.810682D+00  0.664461D-01  0.314063D+01
      3   0.785282D+01 -0.145522D+00  0.504608D+01 -0.302446D+02  0.473403D+00
               286           287           288           289           290 
      1   0.602631D+00 -0.952093D+00  0.408919D+00 -0.169288D+01 -0.563634D+00
      2  -0.153764D+01  0.236516D+01  0.522521D+00  0.415485D+01  0.371465D-02
      3  -0.115498D+01  0.390327D+01 -0.260924D+01  0.154977D+01  0.844933D+00
               291           292           293           294           295 
      1   0.441340D+00 -0.186986D+00 -0.214528D+01  0.993030D+00 -0.172410D+00
      2  -0.189264D+01  0.144207D+01  0.193299D+01 -0.330900D+01 -0.210338D+01
      3   0.108991D+01  0.799390D+00  0.531602D+00 -0.165822D+01  0.150499D+01
               296           297 
      1   0.358914D+01 -0.109893D+02
      2  -0.140039D+00  0.245382D+02
      3  -0.454363D+01  0.100752D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.821385D+00 -0.855254D+01  0.203957D+02  0.128891D+02 -0.190347D+01
      2   0.779954D+01  0.341175D+01 -0.757903D+01 -0.382897D+01  0.267280D+01
      3  -0.697815D+01  0.514079D+01 -0.128167D+02 -0.906017D+01 -0.769330D+00
      4  -0.151157D+01  0.185836D+01 -0.960298D+00  0.817061D+01  0.510763D+01
      5   0.213744D+02  0.164644D+00 -0.795571D+01 -0.942360D+01 -0.339409D+01
      6  -0.511205D+00 -0.329887D+01  0.106674D+01 -0.852789D+00  0.393774D+01
                 6             7             8             9            10 
      1  -0.180758D+02 -0.222541D+02 -0.928905D+01  0.336368D+01  0.483066D+02
      2   0.251460D+01  0.428369D+01  0.197733D+01  0.404961D+01 -0.243431D+02
      3   0.155612D+02  0.179704D+02  0.731172D+01 -0.741330D+01 -0.239636D+02
      4  -0.414728D+01  0.440611D+01 -0.232294D+01 -0.449346D+01 -0.110809D+02
      5  -0.220245D+01  0.103115D+02 -0.383695D+01  0.546803D+01 -0.947365D+01
      6   0.126275D+02 -0.647126D+01  0.638074D+01  0.148260D+02  0.341806D+01
                11            12            13            14            15 
      1   0.810242D+01 -0.150924D+01  0.111723D+02 -0.382135D+01  0.594232D+01
      2  -0.810096D+01  0.379332D+01 -0.131879D+02  0.707648D+01 -0.130891D+01
      3  -0.145425D-02 -0.228408D+01  0.201559D+01 -0.325513D+01 -0.463341D+01
      4   0.744242D+00 -0.352381D+01  0.129133D+02 -0.956337D+01 -0.366190D+00
      5  -0.412197D+01  0.908020D+01  0.144452D+02  0.467662D+00 -0.377294D+01
      6   0.104113D+01 -0.718284D+01 -0.425945D+01  0.475457D+01  0.948889D+01
                16            17            18            19            20 
      1  -0.658157D+01  0.572252D+01 -0.186919D+02 -0.212483D+01  0.453113D+01
      2  -0.265386D+01  0.528439D+01  0.264978D+01 -0.280048D+01 -0.177185D+01
      3   0.923543D+01 -0.110069D+02  0.160421D+02  0.492531D+01 -0.275928D+01
      4   0.151509D+02  0.567734D+00 -0.384795D+01  0.329446D+01 -0.323903D-01
      5  -0.147589D+02 -0.354638D+01 -0.353544D+01 -0.176898D+02  0.293873D+01
      6  -0.560469D+01  0.160376D+01 -0.404372D+01  0.364804D+01  0.528262D+01
                21            22            23            24            25 
      1  -0.245091D+02 -0.995311D+01 -0.569275D+01 -0.494982D+01  0.224003D+02
      2   0.634963D+01 -0.156813D+01  0.619437D+01 -0.319286D+00 -0.599783D-01
      3   0.181594D+02  0.115212D+02 -0.501625D+00  0.526910D+01 -0.223403D+02
      4   0.327525D+01  0.313515D+01 -0.114576D+01  0.321945D+01  0.435004D+01
      5  -0.748603D+00  0.147406D+01  0.122271D+01  0.680661D+01  0.137570D+02
      6   0.604613D+01  0.287444D+01  0.217034D+01  0.774943D+01  0.103747D+02
                26            27            28            29            30 
      1  -0.838852D+01  0.656853D+01  0.167179D+02 -0.161902D+01  0.169900D+01
      2   0.119184D+01 -0.271663D+01 -0.238547D+01  0.600345D+01  0.610001D+00
      3   0.719668D+01 -0.385190D+01 -0.143325D+02 -0.438443D+01 -0.230900D+01
      4   0.315825D+01  0.656854D+01  0.248827D+02  0.159418D+01 -0.213259D+01
      5   0.507702D+01 -0.534301D+01  0.448933D+01 -0.162463D+01  0.638818D+01
      6   0.204555D+01  0.103913D+02  0.339638D+01 -0.127831D+01  0.477506D+01
                31            32            33            34            35 
      1  -0.383188D+00 -0.162146D+01  0.667333D+01 -0.695517D+01  0.916417D+01
      2   0.630431D+01  0.476440D+01 -0.207894D+01  0.123885D+01  0.316395D+01
      3  -0.592112D+01 -0.314293D+01 -0.459439D+01  0.571632D+01 -0.123281D+02
      4   0.134964D+02  0.448514D+00  0.191501D+01  0.112949D+02  0.545065D+01
      5   0.114026D+02  0.940840D+00  0.820658D+00 -0.176472D+02  0.204833D+01
      6  -0.700586D+00  0.390803D+01  0.582960D+01 -0.149040D+01  0.113741D+01
                36            37            38            39            40 
      1  -0.170711D+02  0.589259D+01 -0.139240D+02  0.211756D+02  0.417781D+01
      2   0.288428D+01  0.877220D+00  0.135299D+02 -0.125616D+02  0.432381D+01
      3   0.141868D+02 -0.676981D+01  0.394061D+00 -0.861401D+01 -0.850162D+01
      4   0.648328D+00 -0.101157D+02 -0.143173D+01  0.359215D+01  0.155173D+02
      5  -0.896561D+00  0.107155D+02  0.244291D+01 -0.109370D+02 -0.283322D+01
      6  -0.733587D+01 -0.824606D+00 -0.609088D+01  0.660558D+01 -0.219569D+00
                41            42            43            44            45 
      1  -0.105339D+02 -0.657438D+01 -0.179937D+02 -0.415533D+01  0.694019D+01
      2   0.172291D+02 -0.105279D+02  0.125753D+01 -0.373800D+01 -0.890444D+00
      3  -0.669521D+01  0.171023D+02  0.167362D+02  0.789333D+01 -0.604975D+01
      4   0.643439D+01 -0.257094D+01 -0.392035D+01 -0.217132D+01 -0.604524D+01
      5  -0.144152D+01 -0.115111D+01  0.649278D+01 -0.530636D+01  0.836921D+01
      6  -0.685617D+01  0.518335D+01 -0.944217D+01  0.123890D+01  0.849775D+01
                46            47            48            49            50 
      1  -0.558936D+01  0.111820D+02 -0.236119D+02 -0.254179D+01 -0.144805D+02
      2   0.163550D+01 -0.908633D+01  0.733795D+01 -0.655394D+01  0.240098D+02
      3   0.395385D+01 -0.209565D+01  0.162739D+02  0.909572D+01 -0.952936D+01
      4   0.115613D+02  0.157693D-01  0.511973D+01  0.871263D+01 -0.667629D+01
      5  -0.105989D+02  0.540318D+01 -0.108331D+01  0.935431D+01  0.236822D+01
      6   0.405809D+01  0.474447D+01 -0.534033D+01 -0.181429D+01 -0.603886D+01
                51            52            53            54            55 
      1   0.612933D+01  0.350752D+02 -0.291726D+01  0.102833D+02 -0.280805D+02
      2  -0.117838D+02 -0.105809D+02 -0.118587D+01 -0.649947D+01  0.131788D+02
      3   0.565446D+01 -0.244942D+02  0.410313D+01 -0.378387D+01  0.149018D+02
      4   0.107924D+01 -0.456486D+01  0.244893D+00  0.714484D+01 -0.839187D+01
      5   0.727772D+01  0.517757D+01  0.659038D+01 -0.427224D+01 -0.523987D+01
      6   0.383039D+01  0.110780D+02 -0.289660D+01  0.666572D+01  0.126439D+01
                56            57            58            59            60 
      1  -0.106732D+02 -0.581712D+01 -0.346863D+02 -0.250986D+02  0.147471D+01
      2   0.750681D+01  0.573496D+00  0.250537D+02  0.591350D+01  0.616400D+01
      3   0.316641D+01  0.524362D+01  0.963269D+01  0.191851D+02 -0.763871D+01
      4  -0.281347D+02  0.103535D+01 -0.467840D+02  0.132834D+02 -0.155987D+02
      5   0.668734D+00 -0.125267D+02 -0.499491D+00 -0.150111D+02  0.133925D+02
      6   0.357047D+00  0.113882D+01  0.200606D+00  0.409494D+01 -0.482122D+01
                61            62            63            64            65 
      1  -0.161723D+02  0.726785D+00 -0.182262D+01 -0.837149D+02  0.303682D+02
      2  -0.165776D+01  0.785516D+01  0.715842D+01  0.456739D+02 -0.136154D+02
      3   0.178300D+02 -0.858195D+01 -0.533580D+01  0.380410D+02 -0.167529D+02
      4  -0.525461D+00 -0.208081D+02  0.252011D+02  0.299872D+02  0.259561D+02
      5  -0.232716D+02  0.219648D+02  0.367035D+02  0.256884D+02 -0.324291D+01
      6   0.110150D+02 -0.484529D+01 -0.113980D+02  0.820790D+00 -0.335952D+01
                66            67            68            69            70 
      1   0.255046D+02  0.616034D+02  0.255722D+02 -0.830621D+01  0.361713D+02
      2  -0.144229D+02 -0.287641D+02 -0.130534D+02  0.869589D+01 -0.145859D+02
      3  -0.110816D+02 -0.328393D+02 -0.125188D+02 -0.389686D+00 -0.215854D+02
      4  -0.192463D+01  0.302615D+02  0.677149D+01  0.246903D+02  0.290948D+01
      5   0.753386D+01 -0.231004D+01  0.259616D+02 -0.218511D+02 -0.179031D+01
      6   0.175872D+01  0.191826D+01  0.723569D+01 -0.504811D+01 -0.304494D+01
                71            72            73            74            75 
      1  -0.406738D+01  0.276414D+01  0.367560D+02 -0.237959D+02 -0.203440D+02
      2   0.835943D+01 -0.259571D+00 -0.191443D+02  0.560369D+01  0.108303D+02
      3  -0.429205D+01 -0.250456D+01 -0.176117D+02  0.181922D+02  0.951374D+01
      4   0.232948D+02 -0.169949D+02 -0.224297D+02 -0.317514D+02 -0.547238D+01
      5  -0.175466D+02 -0.354036D+02 -0.120043D+02 -0.761352D+01 -0.173490D+02
      6  -0.594162D+01 -0.539944D+01 -0.147711D+02 -0.894817D+01 -0.244084D+00
                76            77            78            79            80 
      1  -0.308500D+02 -0.280871D+02 -0.137883D+01 -0.225581D+02  0.127321D+01
      2   0.737217D+01  0.188557D+02 -0.115384D+02  0.107401D+02 -0.113609D+02
      3   0.234778D+02  0.923144D+01  0.129172D+02  0.118180D+02  0.100877D+02
      4  -0.410353D+02 -0.971975D+01 -0.373874D+02 -0.182768D+01 -0.265120D+02
      5  -0.864983D+01 -0.438491D+02  0.222154D+02 -0.983620D+01  0.193969D+02
      6  -0.147736D+02 -0.508526D+01 -0.102093D+02  0.205993D+01 -0.864980D+01
                81            82            83            84            85 
      1  -0.105244D+02  0.351526D+02 -0.220728D+02 -0.131749D+02 -0.315355D+02
      2  -0.134342D+01 -0.354986D+02  0.712332D-01  0.681848D+01  0.172042D+01
      3   0.118678D+02  0.346055D+00  0.220015D+02  0.635643D+01  0.298151D+02
      4   0.169486D+02 -0.191811D+02 -0.397290D+02 -0.638342D+00 -0.415558D+02
      5   0.171077D+02 -0.155711D+02  0.618690D+01 -0.434730D+01  0.461671D+01
      6   0.132622D+02  0.545854D+00  0.454894D+01 -0.288093D+01  0.310121D+01
                86            87            88            89            90 
      1  -0.291878D+02  0.931756D+01 -0.152370D+02  0.278961D+01  0.138916D+01
      2   0.213217D+01 -0.734137D+01  0.198519D+01 -0.782148D+01  0.227080D+02
      3   0.270557D+02 -0.197619D+01  0.132518D+02  0.503186D+01 -0.240971D+02
      4  -0.299771D+02 -0.159644D+02 -0.109403D+02 -0.234020D+02  0.102627D+02
      5  -0.137766D+02  0.211186D+02 -0.275835D+01  0.133071D+02  0.484193D+02
      6  -0.750770D+01  0.111030D+02 -0.119707D+01  0.102997D+02  0.110251D+02
                91            92            93            94            95 
      1   0.100685D+02 -0.518982D+01 -0.224057D+01 -0.140765D+02 -0.155941D+02
      2  -0.853154D+01 -0.161974D+01 -0.558831D+00  0.732965D+01  0.584356D+01
      3  -0.153696D+01  0.680956D+01  0.279940D+01  0.674686D+01  0.975054D+01
      4  -0.215416D+02 -0.157670D+02 -0.822992D+01 -0.383160D+02  0.161136D+02
      5  -0.856912D+01 -0.738215D+01 -0.909372D+01 -0.134667D+02 -0.217656D+01
      6  -0.500184D+01 -0.244845D+01 -0.441763D+01 -0.254560D+01 -0.539546D+01
                96            97            98            99           100 
      1  -0.695282D+01 -0.175614D+02 -0.922851D+01 -0.215237D+01 -0.392483D+01
      2   0.400395D+00  0.955971D+00 -0.136502D+01  0.780375D+01 -0.122735D+00
      3   0.655243D+01  0.166054D+02  0.105935D+02 -0.565138D+01  0.404757D+01
      4  -0.182502D+01 -0.197299D+02 -0.138392D+02 -0.160243D+02  0.130317D+02
      5  -0.136802D+02 -0.152575D+02 -0.150296D+02  0.285791D+02 -0.159677D+02
      6  -0.290126D+01 -0.790967D+01 -0.262084D+01  0.825702D+01  0.567255D+01
               101           102           103           104           105 
      1   0.583293D+01 -0.757190D+01  0.193372D+02  0.262992D+01  0.952781D+01
      2  -0.128229D-01  0.518507D+01 -0.140214D+02  0.328720D+01 -0.264310D+01
      3  -0.582011D+01  0.238683D+01 -0.531580D+01 -0.591711D+01 -0.688471D+01
      4  -0.219991D+01  0.770101D+01 -0.263271D+01 -0.164769D+02 -0.371551D+01
      5   0.685030D+01 -0.224922D+01  0.778522D+01 -0.335664D+01  0.239608D+02
      6  -0.582303D+01  0.569135D+01 -0.178222D+01 -0.106093D+01 -0.157829D+02
               106           107           108           109           110 
      1  -0.231639D+02  0.102959D+02 -0.423801D+01  0.417455D+02 -0.129467D+02
      2   0.802695D+01  0.390175D+01  0.204796D+01 -0.193545D+02  0.373914D+01
      3   0.151370D+02 -0.141976D+02  0.219005D+01 -0.223910D+02  0.920752D+01
      4   0.211263D+02 -0.185606D+02  0.218922D+02 -0.251417D+02  0.205428D+02
      5  -0.185783D+02  0.196957D+02 -0.219423D+02  0.300620D+02 -0.668033D+01
      6   0.113898D+02 -0.181774D+02  0.567966D+01 -0.115644D+02  0.424271D+01
               111           112           113           114           115 
      1   0.231725D+02 -0.157506D+02  0.319506D+01 -0.168643D+01  0.381524D+02
      2  -0.134674D+02  0.243692D+01  0.868695D+01 -0.157121D+01 -0.181845D+02
      3  -0.970511D+01  0.133137D+02 -0.118820D+02  0.325764D+01 -0.199679D+02
      4  -0.107635D+02  0.253376D+02 -0.237695D+02  0.177776D+02 -0.245973D+02
      5   0.214364D+02 -0.122827D+02  0.170217D+02 -0.197431D+02  0.339831D+02
      6  -0.763364D+01  0.624851D+01 -0.120595D+02  0.180321D+02 -0.116082D+02
               116           117           118           119           120 
      1  -0.332694D+01  0.987109D+01 -0.968699D+00 -0.945587D+01 -0.121443D+02
      2  -0.510528D+01 -0.132636D+02 -0.259939D+01  0.118245D+02  0.762828D+01
      3   0.843222D+01  0.339254D+01  0.356809D+01 -0.236868D+01  0.451601D+01
      4   0.320072D+02 -0.194648D+02  0.121900D+01 -0.571505D+01  0.334823D+01
      5  -0.177189D+02  0.557907D+02 -0.753012D+01 -0.123041D+01  0.561829D+01
      6   0.168621D+02 -0.276755D+02  0.371784D+01  0.538002D+01  0.136630D+01
               121           122           123           124           125 
      1  -0.475010D+01 -0.324162D+01 -0.518689D+01 -0.117370D+02 -0.860550D+01
      2   0.129257D+02 -0.186123D+02  0.153178D+01  0.644581D+01  0.765666D+01
      3  -0.817560D+01  0.218539D+02  0.365511D+01  0.529124D+01  0.948832D+00
      4  -0.886902D+01  0.423359D+02 -0.228562D+01  0.120370D+02 -0.163113D+02
      5   0.158548D+01 -0.158114D+01 -0.452017D+01  0.160363D+02 -0.168273D+02
      6   0.307342D+01  0.723894D+00  0.103315D+02 -0.590350D+01  0.202508D+02
               126           127           128           129           130 
      1  -0.103454D+02 -0.592361D-01  0.546765D+00  0.286917D+01 -0.218730D+01
      2  -0.629103D+01 -0.530980D+01 -0.147052D+01  0.563525D+01 -0.518601D+00
      3   0.166365D+02  0.536904D+01  0.923757D+00 -0.850442D+01  0.270590D+01
      4  -0.149436D+02  0.142264D+01  0.250928D+01 -0.623283D+00  0.139647D+01
      5  -0.323608D+02 -0.892769D+01 -0.229985D+01  0.114355D+02 -0.223306D+01
      6   0.232891D+02  0.507521D+00 -0.147271D+01 -0.130582D+01 -0.123955D+01
               131           132           133           134           135 
      1  -0.291834D+01  0.708778D+01  0.343920D+01  0.392085D+01 -0.221275D+02
      2  -0.536301D+00  0.313455D+01  0.713218D+01  0.231239D+01 -0.157226D+02
      3   0.345464D+01 -0.102223D+02 -0.105714D+02 -0.623324D+01  0.378501D+02
      4   0.103742D+01 -0.145667D+01 -0.212994D+01 -0.346536D+01  0.236327D+01
      5  -0.252279D+01  0.351284D+01  0.123380D+02  0.409086D+01 -0.196924D+02
      6  -0.256647D+01  0.160335D+01  0.458755D+00  0.522990D+01 -0.123752D+01
               136           137           138           139           140 
      1   0.325191D+01  0.338240D+00 -0.192118D+01  0.771570D+00 -0.183191D+01
      2  -0.546268D+01  0.903021D+00 -0.417030D+01  0.204886D+01 -0.268585D+00
      3   0.221076D+01 -0.124126D+01  0.609148D+01 -0.282043D+01  0.210050D+01
      4  -0.175076D+01  0.363963D+01 -0.992529D+00  0.242014D+01 -0.284128D+01
      5   0.105645D+02 -0.291050D+01  0.956543D+01 -0.449552D+01  0.330261D+01
      6  -0.401070D+00  0.170674D+01 -0.106527D+01  0.745274D+00 -0.283592D+01
               141           142           143           144           145 
      1   0.492805D+01 -0.290636D+01  0.401519D+01 -0.120853D+02 -0.286538D+01
      2   0.253777D+01 -0.552353D+01  0.118502D+01 -0.835754D+01 -0.266606D+01
      3  -0.746582D+01  0.842990D+01 -0.520022D+01  0.204428D+02  0.553144D+01
      4   0.118375D+01 -0.204584D+01  0.298840D+01 -0.210390D+01  0.514752D+01
      5  -0.593796D+01  0.119813D+02 -0.435550D+01  0.147784D+02 -0.868841D+01
      6   0.212069D+01 -0.196851D+01  0.487881D+01 -0.359143D+01 -0.581793D+01
               146           147           148           149           150 
      1  -0.168932D+01  0.565001D+01 -0.235822D+01 -0.459839D+01  0.871441D+01
      2   0.182490D+00  0.296081D+01 -0.473414D+00  0.102624D+01  0.581298D+00
      3   0.150683D+01 -0.861082D+01  0.283164D+01  0.357214D+01 -0.929571D+01
      4   0.368954D+01 -0.541628D+01  0.206707D+01  0.173648D+01 -0.268805D+01
      5  -0.330487D+01  0.114274D+02 -0.294466D+01 -0.234343D+01  0.353385D+01
      6  -0.345361D+01  0.635897D+01 -0.277585D+01 -0.524200D+01  0.886061D+01
               151           152           153           154           155 
      1   0.735042D+01  0.109265D+02 -0.287863D+02  0.295022D+01  0.252520D+01
      2   0.191106D+01 -0.316239D+01 -0.526713D+01 -0.209463D+01 -0.308663D+01
      3  -0.926148D+01 -0.776409D+01  0.340534D+02 -0.855588D+00  0.561434D+00
      4  -0.597036D+01 -0.509256D+01  0.800965D+01 -0.106739D+02  0.818469D+01
      5   0.105087D+02  0.501195D+01 -0.164543D+02  0.153580D+02 -0.580690D+01
      6   0.858668D+01  0.131072D+02 -0.240146D+02 -0.858979D+01  0.618453D+01
               156           157           158           159           160 
      1  -0.128080D+01  0.898850D-01 -0.384713D+01  0.486732D+01 -0.377125D+01
      2  -0.130115D+01  0.500868D+00  0.226313D+01 -0.274945D+00 -0.138746D+01
      3   0.258194D+01 -0.590753D+00  0.158401D+01 -0.459238D+01  0.515871D+01
      4  -0.818276D+01  0.583053D+01 -0.620475D+01  0.627326D+01 -0.877297D+01
      5   0.134833D+02 -0.773594D+01  0.540364D+01 -0.877871D+01  0.147029D+02
      6  -0.859194D+01  0.591575D+01 -0.665811D+01  0.898877D+01 -0.103686D+02
               161           162           163           164           165 
      1   0.787532D+01 -0.133579D+02  0.848327D+01 -0.220800D+01 -0.800584D+01
      2  -0.455232D+01 -0.124514D+01 -0.735473D+01  0.655494D+00  0.602566D+01
      3  -0.332300D+01  0.146030D+02 -0.112854D+01  0.155250D+01  0.198018D+01
      4   0.781123D+01 -0.105059D+02 -0.542792D+01  0.959168D+01  0.627843D+01
      5  -0.781835D+01  0.192594D+02 -0.146788D+02  0.458610D+01  0.155232D+02
      6   0.120745D+02 -0.180500D+02  0.429439D+01 -0.175580D+01 -0.296222D+01
               166           167           168           169           170 
      1   0.441296D+01  0.926867D+00 -0.273023D+01 -0.153334D+02 -0.440309D+01
      2  -0.332882D+01  0.641427D+00  0.115457D+01  0.136588D+02  0.624936D+00
      3  -0.108414D+01 -0.156829D+01  0.157567D+01  0.167461D+01  0.377815D+01
      4   0.112036D+02 -0.911043D+01 -0.838595D+01  0.124333D+02 -0.143719D+02
      5   0.424593D+01 -0.848802D+01 -0.872339D+01  0.275363D+02 -0.182020D+02
      6  -0.304410D+01  0.601266D+01  0.916123D+01 -0.927774D+01  0.119236D+02
               171           172           173           174           175 
      1  -0.462173D+01  0.194844D+02 -0.970555D+01  0.595514D+01 -0.111963D+02
      2  -0.118262D+02 -0.376355D+01 -0.486718D+00 -0.161456D+01 -0.363726D+01
      3   0.164479D+02 -0.157208D+02  0.101923D+02 -0.434058D+01  0.148336D+02
      4  -0.214443D+02 -0.216973D+02  0.251110D+02 -0.526819D+01  0.323578D+02
      5  -0.492147D+02  0.803246D+01 -0.324156D+01  0.725722D+01 -0.422336D+01
      6   0.193069D+02 -0.256150D+01  0.154408D+00 -0.165901D+01  0.160386D+01
               176           177           178           179           180 
      1   0.356117D+01 -0.379667D+00  0.175924D+02 -0.619489D+00  0.218578D+01
      2   0.178104D+02 -0.415315D+01 -0.446869D+01 -0.686174D+01  0.226286D+00
      3  -0.213716D+02  0.453281D+01 -0.131238D+02  0.748123D+01 -0.241207D+01
      4  -0.455945D+02  0.110002D+02 -0.147360D+02  0.226517D+02 -0.130954D+02
      5   0.979844D+01 -0.840923D+01  0.957148D+01 -0.114036D+02  0.688321D+01
      6  -0.344799D+01  0.528510D+01 -0.397767D+01  0.574930D+01 -0.361944D+01
               181           182           183           184           185 
      1   0.138448D+03 -0.174651D+02 -0.176288D+02 -0.264368D+02  0.133288D+02
      2  -0.705728D+02  0.912621D+01  0.880347D+01  0.130863D+02 -0.482833D+01
      3  -0.678751D+02  0.833890D+01  0.882537D+01  0.133506D+02 -0.850048D+01
      4  -0.139721D+02  0.137693D+02  0.186647D+01  0.171344D+02 -0.854650D+01
      5  -0.211280D+02  0.260357D+01  0.171350D+02  0.277297D+01 -0.640257D+01
      6   0.100414D+01 -0.126404D+01  0.124274D+01 -0.152631D+01  0.221418D-01
               186           187           188           189           190 
      1   0.315017D+01 -0.208720D+02  0.223929D+01  0.161825D+02  0.338391D+02
      2  -0.216938D+01  0.119177D+02 -0.208984D+01 -0.102099D+02 -0.151593D+02
      3  -0.980792D+00  0.895433D+01 -0.149449D+00 -0.597254D+01 -0.186798D+02
      4  -0.591136D+01  0.730168D+00 -0.563884D+01 -0.473034D+00  0.324346D+02
      5  -0.969118D+00  0.230585D+02 -0.751228D+00 -0.515397D+01  0.267991D+02
      6   0.249765D+01 -0.508616D-01  0.268142D+01  0.840866D+00  0.119543D+02
               191           192           193           194           195 
      1   0.203487D+02  0.134385D+02  0.263026D+02  0.157745D+02  0.665449D+01
      2  -0.559544D+01 -0.950457D+01 -0.786196D+01  0.138962D+01 -0.385910D+01
      3  -0.147532D+02 -0.393393D+01 -0.184406D+02 -0.171641D+02 -0.279538D+01
      4   0.306870D+02  0.132930D+02  0.386666D+02  0.453626D+02  0.228255D+02
      5   0.164063D+02  0.217759D+02  0.243901D+02  0.265459D+02  0.214836D+02
      6   0.112372D+02  0.783888D+01  0.146433D+02  0.192884D+02  0.143216D+02
               196           197           198           199           200 
      1   0.821964D+01  0.226094D+01  0.670645D+01  0.106266D+02 -0.633110D+01
      2  -0.665719D+01 -0.202409D+01 -0.591182D+01 -0.865294D+01  0.561235D+01
      3  -0.156244D+01 -0.236846D+00 -0.794627D+00 -0.197367D+01  0.718756D+00
      4   0.976166D+01  0.121304D+02  0.113570D+02 -0.709203D+01  0.129785D+02
      5   0.180635D+02  0.119477D+02  0.143550D+02  0.162216D+02 -0.800086D+01
      6   0.694247D+01  0.996815D+01  0.727548D+01 -0.150219D+01  0.436521D+01
               201           202           203           204           205 
      1   0.116489D+02 -0.124620D+02  0.694041D+01 -0.421141D+01  0.106698D+02
      2  -0.103104D+02  0.109419D+02 -0.855197D+01  0.142038D+02 -0.109701D+02
      3  -0.133856D+01  0.152005D+01  0.161156D+01 -0.999239D+01  0.300268D+00
      4  -0.584935D+01  0.141337D+02 -0.282358D+02  0.219020D+02 -0.586167D+01
      5   0.174721D+02 -0.163138D+02  0.247026D+02 -0.324531D+02  0.185015D+02
      6  -0.189195D+01  0.526990D+01 -0.126205D+02  0.961950D+01 -0.247876D+01
               206           207           208           209           210 
      1  -0.173728D+01  0.237897D+01 -0.470134D+02  0.916081D+01  0.135687D+02
      2   0.948772D+01 -0.170094D+02  0.229869D+02 -0.527575D+01 -0.185961D+01
      3  -0.775044D+01  0.146305D+02  0.240265D+02 -0.388506D+01 -0.117091D+02
      4   0.164840D+02 -0.169857D+02 -0.427779D+01 -0.327257D+01 -0.143062D+01
      5  -0.186568D+02  0.330552D+02 -0.102562D+02 -0.149836D+01 -0.781531D+01
      6   0.982966D+01 -0.766370D+01  0.557506D+01 -0.541124D+01 -0.651050D+01
               211           212           213           214           215 
      1   0.773197D+01 -0.757765D+01 -0.560849D+01  0.102617D+02 -0.346955D+01
      2  -0.366339D+01  0.453654D+01  0.341487D+01 -0.223313D+01  0.181528D+01
      3  -0.406858D+01  0.304111D+01  0.219362D+01 -0.802855D+01  0.165426D+01
      4   0.165519D+01  0.283248D+01  0.539466D+01  0.272284D+00  0.368735D+01
      5   0.515593D+00  0.458760D+01  0.536757D+00  0.192140D+01 -0.119473D+01
      6  -0.212134D+01  0.377260D+01  0.501689D+01 -0.339298D+01  0.408589D+01
               216           217           218           219           220 
      1  -0.931530D+01 -0.386341D+02  0.161765D+02  0.155025D+01  0.170686D+02
      2   0.703961D+00  0.273578D+02 -0.148161D+02 -0.210937D+01 -0.100285D+02
      3   0.861134D+01  0.112763D+02 -0.136036D+01  0.559116D+00 -0.704006D+01
      4  -0.119967D+01 -0.891995D+01 -0.204911D+01  0.284113D+01  0.106610D+02
      5   0.325109D+01  0.106760D+02 -0.420907D+00 -0.598540D+01 -0.461994D+01
      6   0.216087D+01 -0.149070D+00  0.278782D+01 -0.476404D+01 -0.174607D+00
               221           222           223           224           225 
      1  -0.595196D+01 -0.992537D+00  0.552365D+01 -0.354312D+01 -0.543506D+01
      2   0.108576D+02  0.940587D+00 -0.358151D+01  0.426772D+01  0.299592D+00
      3  -0.490562D+01  0.519502D-01 -0.194215D+01 -0.724594D+00  0.513547D+01
      4   0.882929D+01 -0.365430D+00  0.780441D+00  0.346941D+01 -0.110681D+01
      5   0.885418D+00  0.343063D+00 -0.125394D+01  0.295671D+00 -0.300994D+01
      6  -0.198308D+01  0.129910D+01 -0.226015D+01  0.135547D+01 -0.542229D+00
               226           227           228           229           230 
      1   0.801075D+00  0.240449D+01 -0.779304D+01 -0.978184D+00  0.346548D+00
      2  -0.227484D+01  0.159971D+00  0.623170D+01  0.239075D+01 -0.122185D+01
      3   0.147377D+01 -0.256446D+01  0.156134D+01 -0.141256D+01  0.875300D+00
      4   0.313690D+01  0.642940D+01 -0.254687D+01  0.430999D+01  0.894692D-01
      5  -0.968637D+01 -0.124456D+01  0.128954D+02  0.116277D+01 -0.506528D+01
      6  -0.240576D+01 -0.122799D+01  0.168188D+01 -0.732460D+00  0.775403D-01
               231           232           233           234           235 
      1  -0.114619D-01 -0.883219D+01  0.224396D+01 -0.128012D+02  0.259693D+02
      2  -0.461567D+01  0.851351D+01 -0.402972D+01 -0.242488D+02 -0.483088D+00
      3   0.462713D+01  0.318683D+00  0.178575D+01  0.370500D+02 -0.254862D+02
      4  -0.423817D+01 -0.535480D+01 -0.910561D+01  0.427905D+01  0.387253D+02
      5  -0.991706D+01  0.167364D+02  0.372921D+01 -0.668266D+02 -0.338708D+01
      6   0.318560D+01  0.428781D+01  0.790852D+01 -0.241163D+02 -0.286392D+01
               236           237           238           239           240 
      1   0.189762D+02  0.209494D+01  0.191811D+02  0.107328D+02 -0.308693D+00
      2   0.577700D+01  0.139371D+00  0.703806D+01  0.255942D+02  0.129770D+01
      3  -0.247532D+02 -0.223431D+01 -0.262192D+02 -0.363270D+02 -0.989008D+00
      4   0.430017D+02 -0.101852D+01  0.455596D+02  0.651053D+02 -0.826736D+00
      5  -0.494922D+01  0.937724D+01 -0.548326D+01 -0.424120D+01  0.705724D+01
      6  -0.457291D+01  0.534803D+01 -0.460297D+01 -0.765541D+01  0.627308D+01
               241           242           243           244           245 
      1   0.718913D+01  0.211820D+01  0.326027D+01  0.976269D+00  0.332131D+01
      2   0.181300D+00  0.504642D+01 -0.138470D+01 -0.409650D+01 -0.147305D+01
      3  -0.737043D+01 -0.716461D+01 -0.187557D+01  0.312023D+01 -0.184826D+01
      4   0.877025D+01  0.137855D+02  0.695387D+01  0.587935D+01  0.534517D+01
      5   0.692658D+01  0.546882D+01 -0.119738D+01 -0.111615D+02 -0.121945D+01
      6   0.395515D+01  0.436002D+01  0.485904D+00 -0.338599D+01 -0.364244D+00
               246           247           248           249           250 
      1  -0.634726D+01  0.408844D+01  0.349477D-01  0.211178D+01 -0.815845D+01
      2   0.496134D+01 -0.177609D+01  0.712985D-01 -0.442368D+00  0.854803D+01
      3   0.138592D+01 -0.231235D+01 -0.106246D+00 -0.166941D+01 -0.389586D+00
      4  -0.222018D+01  0.899780D+01  0.438899D+01 -0.685748D+01 -0.427788D+01
      5   0.118505D+02 -0.182459D+01 -0.692210D+01  0.859742D+01  0.168452D+02
      6   0.204195D+01 -0.155895D+01 -0.377171D+01  0.685057D+01  0.316540D+01
               251           252           253           254           255 
      1   0.227828D+01 -0.566109D+01 -0.815409D+02 -0.828805D+01  0.978476D+01
      2   0.588155D+00 -0.129429D+02  0.418989D+02  0.131131D+02 -0.602024D+01
      3  -0.286644D+01  0.186040D+02  0.396420D+02 -0.482505D+01 -0.376451D+01
      4  -0.102399D+02  0.904580D+01 -0.141507D+02  0.252517D+02  0.928265D+01
      5   0.761781D+01 -0.396813D+02  0.125672D+02  0.587072D+01  0.105933D+02
      6   0.623561D+01 -0.113526D+02  0.923744D+01  0.409010D+01  0.413971D+01
               256           257           258           259           260 
      1   0.147941D+02  0.352417D+02  0.634558D+00  0.281843D+02  0.173463D+01
      2  -0.463196D+00 -0.358354D+02 -0.300601D+00 -0.102914D+02  0.349464D+01
      3  -0.143309D+02  0.593775D+00 -0.333957D+00 -0.178929D+02 -0.522927D+01
      4   0.343683D+02 -0.159258D+02  0.110964D+02  0.208766D+02  0.185064D+02
      5   0.112105D+02  0.138868D+02  0.131862D+02  0.160249D+02  0.119039D+02
      6   0.698501D+01  0.406366D+01  0.691836D+01  0.797369D+01  0.738098D+01
               261           262           263           264           265 
      1   0.129858D+02  0.334997D+01 -0.617952D+01 -0.132582D+01 -0.320636D+01
      2   0.596346D+01  0.369238D+01 -0.323090D+01 -0.353196D+00 -0.819862D+01
      3  -0.189492D+02 -0.704236D+01  0.941042D+01  0.167902D+01  0.114050D+02
      4   0.152733D+02 -0.125142D+02  0.191583D+02  0.395762D+01  0.236018D+02
      5  -0.262430D+02 -0.445975D+01  0.529560D+01  0.343959D+01  0.615466D+01
      6  -0.790761D+01  0.335600D+01 -0.389662D+01 -0.147740D+01 -0.533142D+01
               266           267           268           269           270 
      1  -0.146064D+02 -0.406561D+01  0.411181D+00  0.392862D+00 -0.178072D+01
      2   0.420579D+02  0.593018D+01  0.238134D+01 -0.759337D+01  0.184598D+01
      3  -0.274515D+02 -0.186457D+01 -0.279252D+01  0.720051D+01 -0.652584D-01
      4  -0.621074D+02 -0.122737D+02 -0.365444D+01  0.957591D+01 -0.326690D+01
      5  -0.144051D+02 -0.108659D+02  0.179154D+01 -0.308180D+01 -0.268161D+01
      6   0.183561D+02  0.896436D+01 -0.107667D+01  0.395987D+01  0.204842D+01
               271           272           273           274           275 
      1   0.127064D+03  0.114539D+02 -0.496201D+01 -0.500668D+01  0.642112D+01
      2  -0.598041D+02 -0.156983D+01  0.196959D+01  0.521672D+01 -0.119731D+00
      3  -0.672596D+02 -0.988411D+01  0.299242D+01 -0.210042D+00 -0.630139D+01
      4   0.454511D+02  0.192500D+02 -0.295197D+00  0.116138D+02  0.562616D+01
      5   0.311302D+01  0.114879D+01  0.132189D+02 -0.740443D+00 -0.175430D+01
      6  -0.127011D+01  0.126413D+01  0.401112D+01  0.918105D-01 -0.844081D-01
               276           277           278           279           280 
      1   0.242985D+00 -0.178809D+02 -0.162593D+01  0.927887D+01  0.910644D+00
      2  -0.311546D+00  0.778918D+01 -0.574848D+00 -0.664276D+01  0.255615D+01
      3   0.685616D-01  0.100917D+02  0.220078D+01 -0.263611D+01 -0.346679D+01
      4  -0.194392D+01 -0.802628D+01 -0.541648D+01  0.232785D+01  0.325211D+01
      5  -0.141703D+01  0.132250D+02  0.404087D+00 -0.908155D+00 -0.224867D+01
      6   0.116465D+00  0.354579D+01  0.784586D+00 -0.339604D+00 -0.935221D+00
               281           282           283           284           285 
      1   0.129230D+02 -0.126625D+01  0.110793D+02 -0.311983D+02 -0.364853D+00
      2  -0.138964D+02  0.949521D+00 -0.447943D+01  0.522986D+02 -0.644425D+00
      3   0.973386D+00  0.316727D+00 -0.659984D+01 -0.211003D+02  0.100928D+01
      4  -0.739852D+01 -0.190720D+01  0.990877D+01  0.518696D+02 -0.846338D-01
      5  -0.198959D+00 -0.252328D+01  0.144939D+01 -0.251525D+01  0.609880D+01
      6  -0.136058D+01 -0.225098D+01 -0.594262D-01  0.462898D+01  0.674870D+01
               286           287           288           289           290 
      1  -0.515808D+01  0.159879D+01 -0.527372D+01  0.597555D+01  0.604882D+00
      2   0.163425D+01 -0.499295D+01  0.408328D+01 -0.589807D+01 -0.146184D+01
      3   0.352383D+01  0.339416D+01  0.119044D+01 -0.774863D-01  0.856963D+00
      4  -0.425510D+01 -0.841782D+01  0.338404D+01 -0.530036D+00 -0.272423D+01
      5   0.356422D+00  0.447535D+01  0.612254D+00  0.339185D+01 -0.136700D+01
      6  -0.423852D+00  0.629333D+01 -0.382764D+00  0.847535D-01 -0.136012D+01
               291           292           293           294           295 
      1   0.532810D+01 -0.569149D+01 -0.564838D+01 -0.477521D+00  0.112955D+02
      2  -0.216105D+01  0.236387D+01  0.328514D+01  0.299209D+01 -0.695637D+01
      3  -0.316706D+01  0.332762D+01  0.236324D+01 -0.251457D+01 -0.433911D+01
      4   0.129736D-01 -0.316422D+01 -0.245225D+01  0.232214D+01  0.629175D+01
      5   0.742574D+00 -0.248546D+01  0.215119D+01 -0.554953D+01  0.103785D+02
      6  -0.933394D+00 -0.769841D+00  0.296725D-01  0.139034D+01  0.213969D+01
               296           297 
      1  -0.100506D+01 -0.111571D+02
      2   0.344005D+01 -0.134812D+02
      3  -0.243499D+01  0.246383D+02
      4   0.986191D+01  0.335786D+00
      5   0.127569D+01  0.439715D+02
      6   0.460849D+01  0.168655D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.690903D+00      0.175610D+01      0.585772D+01
   x          0.471325D+00      0.119799D+01      0.399606D+01
   y         -0.177071D+00     -0.450069D+00     -0.150127D+01
   z          0.473124D+00      0.120256D+01      0.401131D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.158259D+03      0.234516D+02      0.260934D+02
   aniso      0.638714D+02      0.946477D+01      0.105310D+02
   xx         0.199037D+03      0.294943D+02      0.328168D+02
   yx        -0.554041D+00     -0.821005D-01     -0.913491D-01
   yy         0.130507D+03      0.193392D+02      0.215177D+02
   zx         0.166351D+01      0.246507D+00      0.274276D+00
   zy        -0.744604D+01     -0.110339D+01     -0.122769D+01
   zz         0.145234D+03      0.215214D+02      0.239458D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.168271D+03      0.249351D+02      0.277441D+02
   aniso      0.670660D+02      0.993815D+01      0.110577D+02
   xx         0.211074D+03      0.312780D+02      0.348014D+02
   yx        -0.974809D+00     -0.144452D+00     -0.160724D+00
   yy         0.139103D+03      0.206129D+02      0.229349D+02
   zx         0.178636D+01      0.264712D+00      0.294532D+00
   zy        -0.779247D+01     -0.115473D+01     -0.128480D+01
   zz         0.154635D+03      0.229145D+02      0.254959D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.57539356         -1.13510741         -0.52031291
     6          2.34280323         -1.35288217          2.09805333
     6          0.46762951         -1.09563667         -2.07820159
     6         -1.95548370         -1.27828699         -1.06060019
     6         -2.20255524         -1.50369757          1.54702002
     6         -0.08618841         -1.55023781          3.09842196
     6          4.63374799         -1.32775249          3.78610954
     6          5.47042762          1.32136745          4.70012994
     6          3.46172337          2.60223762          6.33203510
     6          6.26842276          3.03366791          2.51617427
     6         -4.27369158         -1.28965107         -2.75652900
     6         -4.29924668          1.12351271         -4.30287860
     8         -3.45515123          1.36749758         -6.40114854
     8         -5.35424189          3.06278025         -3.01473519
     1          4.43962886         -0.99837495         -1.35378487
     1          0.70611260         -0.90927761         -4.10169322
     1         -4.06913867         -1.65264702          2.37467544
     1         -0.32824966         -1.74485431          5.12138427
     1          6.22018682         -2.19654782          2.78875823
     1          4.26378091         -2.49616621          5.44873262
     1          7.13508521          0.99955440          5.88816628
     1          4.16801212          4.38863957          7.08468419
     1          2.91589097          1.41412909          7.92940852
     1          1.76213425          3.01039287          5.23640812
     1          4.67174946          3.45745334          1.28068281
     1          7.74237172          2.15642394          1.36787527
     1          7.00374661          4.82470624          3.22892772
     1         -5.93714869         -1.24710584         -1.54015755
     6         -4.37270206         -3.61550697         -4.47052394
     1         -5.21318096          4.55038174         -4.07712860
     1         -6.09134851         -3.62048436         -5.60879636
     1         -4.33272892         -5.32525177         -3.32273727
     1         -2.76346359         -3.64533376         -5.75173339

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.690903D+00      0.175610D+01      0.585772D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.690903D+00      0.175610D+01      0.585772D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.158259D+03      0.234516D+02      0.260934D+02
   aniso      0.638714D+02      0.946477D+01      0.105310D+02
   xx         0.172588D+03      0.255750D+02      0.284560D+02
   yx         0.705549D+01      0.104552D+01      0.116329D+01
   yy         0.128523D+03      0.190451D+02      0.211905D+02
   zx         0.252401D+02      0.374019D+01      0.416153D+01
   zy         0.308542D+01      0.457212D+00      0.508717D+00
   zz         0.173667D+03      0.257348D+02      0.286338D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.168271D+03      0.249351D+02      0.277441D+02
   aniso      0.670660D+02      0.993815D+01      0.110577D+02
   xx         0.183226D+03      0.271513D+02      0.302099D+02
   yx         0.710787D+01      0.105328D+01      0.117193D+01
   yy         0.136960D+03      0.202954D+02      0.225817D+02
   zx         0.265297D+02      0.393129D+01      0.437415D+01
   zy         0.303084D+01      0.449124D+00      0.499718D+00
   zz         0.184625D+03      0.273587D+02      0.304406D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-25\Freq\RwB97XD\Gen\C13H18O2\PIERPA\08-Sep-2021\0\\#P
  wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA G
 uess=Read Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,0.736226,-0
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 IT IS A QUALITY OF REVOLUTIONS NOT TO GO BY OLD LINES OR OLD LAWS,
 BUT TO BREAK UP BOTH, AND MAKE NEW ONES.
                                              -- A. LINCOLN (1848)
 Job cpu time:       1 days 16 hours 30 minutes 14.2 seconds.
 Elapsed time:       0 days  5 hours  3 minutes 54.9 seconds.
 File lengths (MBytes):  RWF=    938 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Wed Sep  8 17:33:35 2021.
